data_2lqc_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 2lqc _Structure_validation_residue.Date_analyzed 2016-10-08 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 . . . . . . . . . . . . . 2.0 t . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -50.76 -55.12 18.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 110.099 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' OE2' ' OE1' ' A' ' 11' ' ' GLU . 47.3 tp10 -44.5 -56.51 4.24 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -45.53 -59.61 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 pt -57.24 -49.0 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.402 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.48 73.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.06 0.457 . . . . 0.0 109.811 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' OE1' ' OE2' ' A' ' 7' ' ' GLU . 27.8 tp10 -62.35 -45.39 93.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.963 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.05 -44.24 97.11 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.418 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' CD ' ' C ' ' A' ' 13' ' ' LYS . 4.7 tmtt? -61.66 -46.9 87.75 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.171 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -56.89 -55.72 30.82 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.524 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -56.2 -44.26 79.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.998 0.428 . . . . 0.0 110.42 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -50.76 72.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.834 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -57.05 -36.0 69.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.949 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.83 -43.37 88.77 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.464 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' LYS . 60.5 m-85 -68.96 -50.36 49.83 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.719 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 39.2 t0 -60.12 78.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.69 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.4 mmmt -64.34 -53.25 51.67 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.4 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 52.0 p-10 -61.75 -17.15 54.83 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.647 -0.421 . . . . 0.0 109.954 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 62.62 41.59 99.79 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.946 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -92.7 -5.15 51.95 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 117.044 0.422 . . . . 0.0 110.946 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.47 ' O ' ' CE2' ' A' ' 65' ' ' PHE . . . 100.52 0.98 55.48 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -139.92 160.73 39.26 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.9 mt -107.66 142.01 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' A' ' 29' ' ' THR . 97.6 m -125.29 163.95 21.42 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.148 0.499 . . . . 0.0 110.941 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.466 ' N ' ' CG2' ' A' ' 28' ' ' THR . 37.6 p -55.37 -45.29 76.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.554 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.27 -42.12 88.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.823 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -58.01 -58.74 7.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.0 0.429 . . . . 0.0 110.088 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.32 -48.19 80.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.34 -44.75 28.14 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.9 m -60.65 -47.23 87.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.35 -41.2 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 CA-C-O 120.859 0.361 . . . . 0.0 110.705 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtp -64.95 -38.73 91.92 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.24 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -73.37 -50.66 20.76 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.045 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.3 t -53.31 -32.32 48.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.891 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.3 mt -74.34 -17.82 60.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.298 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.31 18.07 53.9 Favored Glycine 0 N--CA 1.463 0.443 0 N-CA-C 111.748 -0.541 . . . . 0.0 111.748 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -101.69 173.04 6.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.695 0.283 . . . . 0.0 111.019 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -36.22 101.1 0.21 Allowed Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.292 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' O ' ' N ' ' A' ' 45' ' ' GLU . 57.6 Cg_endo -77.63 18.02 0.88 Allowed 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.328 2.018 . . . . 0.0 112.178 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 t -60.46 71.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.366 0.603 . . . . 0.0 111.01 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 43' ' ' PRO . 67.4 tt0 -62.11 -11.72 15.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.496 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.09 -42.99 30.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.697 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -58.98 -45.2 91.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.644 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -63.84 -52.63 59.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.998 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -47.4 -38.43 13.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -75.18 -41.1 58.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.2 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 mmt -66.8 -44.32 81.58 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.14 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.401 HD12 HG22 ' A' ' 52' ' ' ILE . 36.8 mt -63.42 -43.06 98.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -53.57 -19.55 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.758 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -92.84 -60.44 1.81 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.601 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.7 m -63.54 -21.69 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 40.2 p-10 -51.39 109.53 0.35 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.906 0.384 . . . . 0.0 110.665 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -50.65 64.1 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.116 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -81.7 -18.71 43.44 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.617 0.246 . . . . 0.0 111.412 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.16 19.73 68.92 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -81.1 -9.85 59.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.366 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.05 19.62 58.92 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.7 p -132.82 156.67 46.71 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 110.714 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.428 HD11 HG22 ' A' ' 63' ' ' ILE . 27.2 mm -106.98 122.34 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.297 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -82.0 171.01 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.302 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.483 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -52.79 -52.74 61.77 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.31 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 20.6 Cg_endo -58.25 -48.58 15.22 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 122.111 1.874 . . . . 0.0 113.494 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -53.51 -51.87 61.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.218 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.31 -47.78 82.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.241 0.544 . . . . 0.0 110.399 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.11 -27.15 65.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.668 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.328 -0.361 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -179.683 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.408 ' O ' ' OG ' ' B' ' 51' ' ' SER . . . . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.49 93.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 110.963 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.77 -43.32 99.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.385 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' B' ' 48' ' ' ALA . 79.3 p -61.77 -42.76 99.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.209 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -64.26 -47.78 78.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -66.88 -40.33 87.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.475 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.39 98.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.115 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.19 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.732 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.04 -43.86 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -62.61 -45.64 91.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.461 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.65 -38.15 80.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 110.502 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.66 80.79 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.195 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -65.35 -36.55 84.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.583 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -55.9 -45.68 78.59 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.2 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.157 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -61.26 -46.88 88.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.28 -42.84 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.794 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.6 mmm -67.73 -37.33 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.877 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.858 179.549 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 CA--C 1.529 0.173 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -54.69 -52.47 62.28 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 121.291 0.567 . . . . 0.0 110.406 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.474 ' HG3' ' H ' ' A' ' 8' ' ' GLN . 4.9 pt-20 -45.01 -55.28 5.69 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.474 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 87.9 mm-40 -45.79 -59.01 3.03 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 pt -56.69 -47.71 82.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.499 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.99 89.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.958 0.409 . . . . 0.0 110.127 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -57.0 -45.15 83.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.51 -44.14 97.11 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -43.52 95.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.72 -55.09 33.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.3 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.66 -42.12 74.61 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.028 0.442 . . . . 0.0 110.377 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -50.03 74.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 t -57.29 -34.28 68.52 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.088 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.71 -42.63 81.66 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.528 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.6 m-85 -72.22 -52.98 13.94 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.892 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 39.7 t0 -56.22 85.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.672 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -65.94 -54.22 29.1 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.573 -179.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 31.3 p-10 -63.52 -17.03 62.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.57 42.22 99.72 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.009 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 24.4 p-10 -93.08 -0.76 56.99 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 117.199 0.5 . . . . 0.0 111.128 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.56 4.98 56.99 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.494 -0.643 . . . . 0.0 111.494 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 1.7 p -142.34 163.91 31.57 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -112.78 136.78 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 29' ' ' THR . 62.8 m -114.0 166.2 11.85 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.87 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.434 ' N ' ' CG2' ' A' ' 28' ' ' THR . 43.9 p -61.61 -44.3 97.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.473 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -67.37 -41.49 84.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -56.12 -57.47 12.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.832 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.75 -47.32 85.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.825 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.65 -44.12 29.61 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -61.52 -46.4 90.1 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.44 -38.38 81.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.6 mmm -66.71 -47.5 72.15 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.367 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -67.8 -48.57 65.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.915 0.388 . . . . 0.0 110.504 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.1 m -54.16 -22.74 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.568 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.8 mt -93.35 -16.69 24.38 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.976 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.22 5.65 57.07 Favored Glycine 0 N--CA 1.467 0.706 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -75.02 152.37 38.7 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 43' ' ' PRO . 8.2 t-20 -35.29 98.98 0.16 Allowed Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.369 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.463 ' O ' ' O ' ' A' ' 42' ' ' ASN . 36.0 Cg_exo -55.1 -143.18 0.0 OUTLIER 'Trans proline' 0 N--CA 1.501 1.935 0 C-N-CA 122.675 2.25 . . . . 0.0 112.308 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m 71.58 113.56 0.06 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.67 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' ALA . 11.0 pt-20 -82.04 -45.77 14.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.255 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -39.47 -41.85 1.03 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -58.59 -59.47 5.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.668 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.2 mm? -60.33 -51.27 70.25 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.798 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -47.39 -29.48 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.341 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -80.33 -41.6 24.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.431 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.0 mmt -67.63 -44.19 78.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 52' ' ' ILE . 34.7 mt -64.71 -43.42 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.876 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -53.06 -30.51 36.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.761 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -73.98 -53.88 9.11 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.0 m -69.92 -25.01 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -50.38 116.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.03 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.56 -43.5 72.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.82 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -99.97 -0.09 40.05 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.674 0.273 . . . . 0.0 111.262 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.16 23.93 74.68 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -72.02 -22.93 61.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.227 0.536 . . . . 0.0 110.439 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.19 16.9 42.09 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.5 p -136.24 158.39 44.53 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.682 0.277 . . . . 0.0 110.889 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.431 HD11 HG23 ' A' ' 63' ' ' ILE . 24.9 mm -103.98 120.6 54.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.044 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -82.49 176.02 9.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.353 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.459 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.3 m-85 -50.88 -65.74 0.84 Allowed Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.082 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.9 Cg_endo -57.25 -45.38 35.49 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.527 2.151 . . . . 0.0 113.322 -178.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -48.37 -54.9 12.26 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.23 -47.07 87.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.09 0.471 . . . . 0.0 110.7 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -58.62 -27.46 64.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.742 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 C--N 1.328 -0.331 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.671 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.295 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.6 99.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.943 0.402 . . . . 0.0 110.909 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -41.93 98.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.781 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.6 t -57.32 -45.74 83.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.007 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -69.5 -45.41 68.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.954 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -61.82 -47.66 84.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.433 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.159 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.93 -45.79 87.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.956 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.39 -44.67 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.16 -45.62 87.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.65 78.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.693 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.63 77.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.174 0.511 . . . . 0.0 110.001 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -65.14 -40.95 95.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.663 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -52.72 -42.89 65.28 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.12 83.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.168 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -61.85 -47.42 85.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.503 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 49.5 tp -62.77 -46.38 88.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 4.1 mmt -69.1 -36.89 78.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.077 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.803 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 179.64 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.453 ' HG1' ' N ' ' A' ' 6' ' ' GLU . 5.1 t . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.629 0.252 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.453 ' N ' ' HG1' ' A' ' 5' ' ' THR . 77.8 tt0 -53.98 -55.2 29.36 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 121.56 0.695 . . . . 0.0 110.211 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.465 ' CA ' ' OE1' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -43.75 -57.94 2.96 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.545 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -43.65 -61.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.43 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.6 pt -53.14 -49.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.023 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.28 90.26 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.126 0.489 . . . . 0.0 109.928 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -56.87 -47.92 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.132 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.79 -39.91 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.375 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.15 -43.09 82.15 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.918 0.389 . . . . 0.0 110.189 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.41 -56.94 10.92 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.097 0.475 . . . . 0.0 109.882 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -54.62 -37.82 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.027 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -52.13 67.07 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.343 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.4 m -57.01 -30.2 63.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.629 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.6 mt -72.37 -44.64 62.26 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.807 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 52.0 m-85 -68.89 -55.1 12.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.658 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.486 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 31.8 t0 -55.66 85.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.503 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 19' ' ' PHE . 30.5 mmtt -64.11 -57.75 8.68 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.733 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 9.1 p30 -61.1 -18.02 55.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.962 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 64.29 44.58 95.28 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.822 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -92.75 -5.05 52.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.898 0.349 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 100.03 5.65 54.64 Favored Glycine 0 N--CA 1.466 0.674 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -138.43 172.19 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.222 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.4 mt -127.47 150.19 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.659 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 30' ' ' LYS . 6.1 t -143.48 178.4 7.79 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.005 0.431 . . . . 0.0 111.089 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.4 p -58.05 -44.1 87.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.968 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.413 ' H ' HG23 ' A' ' 28' ' ' THR . 59.7 mttp -65.15 -44.71 87.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.022 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 28' ' ' THR . 26.4 mt-10 -60.52 -62.28 1.98 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.966 0.413 . . . . 0.0 110.013 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.99 -48.45 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.821 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.79 -43.93 30.43 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.3 m -59.69 -50.53 73.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.7 t -59.22 -42.75 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.587 0.232 . . . . 0.0 111.02 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 39.2 mtp -66.65 -41.1 88.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.82 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' GLY . 52.0 ttt85 -68.77 -53.02 24.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.551 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.1 m -48.99 -31.71 7.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.745 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.0 mt -74.57 -16.8 60.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 102.86 21.18 10.48 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 112.146 -0.382 . . . . 0.0 112.146 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -80.15 117.74 21.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.073 0.463 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -37.91 152.8 0.14 Allowed Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.541 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -41.72 104.02 0.05 OUTLIER 'Trans proline' 0 N--CA 1.487 1.137 0 C-N-CA 122.263 1.975 . . . . 0.0 111.661 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 p -131.24 5.32 4.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.712 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -46.79 -24.75 0.62 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.402 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.95 -42.66 38.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.071 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -54.77 -46.19 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.487 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 7.5 mp -59.8 -55.36 35.21 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.949 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -45.68 -42.44 11.61 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -76.7 -43.03 39.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.395 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.0 mmt -63.63 -48.32 77.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.101 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.416 HG22 HD12 ' A' ' 52' ' ' ILE . 28.7 mt -63.55 -43.09 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 46.3 t-20 -50.79 -39.36 52.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.916 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -73.06 -51.84 16.57 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.694 0.283 . . . . 0.0 111.401 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 m -92.65 24.36 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.501 ' OD2' ' CA ' ' A' ' 59' ' ' GLY . 13.0 t70 -65.63 -32.72 74.44 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.088 0.47 . . . . 0.0 110.901 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.79 -65.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.7 t0 -73.03 -29.26 62.86 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.605 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.501 ' CA ' ' OD2' ' A' ' 56' ' ' ASP . . . 83.26 12.88 78.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.497 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 41.3 p30 -83.38 -16.78 44.62 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.876 0.37 . . . . 0.0 110.681 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.408 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 94.49 11.14 57.41 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.418 ' HG1' ' CG ' ' A' ' 60' ' ' ASN . 59.0 p -132.0 156.6 45.94 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.155 0.502 . . . . 0.0 111.176 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 63' ' ' ILE . 26.0 mm -101.75 116.31 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.221 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -75.52 176.0 7.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.432 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 m-85 -51.28 -65.73 0.87 Allowed Pre-proline 0 C--O 1.239 0.552 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.295 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.8 Cg_endo -57.27 -47.19 23.49 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.56 2.174 . . . . 0.0 113.038 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -46.32 -52.18 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 30.2 t80 -61.91 -48.7 79.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.228 0.537 . . . . 0.0 110.387 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.06 -27.11 30.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.476 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 m . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.964 -178.829 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.2 97.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.951 0.405 . . . . 0.0 111.184 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.9 -40.01 95.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.25 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -59.68 -48.09 83.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.481 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -72.22 -46.46 56.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.437 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -60.33 -49.22 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.417 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.53 91.48 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.763 0.316 . . . . 0.0 111.178 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.9 96.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.957 0.408 . . . . 0.0 110.793 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.89 -43.85 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -61.03 -49.2 78.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.746 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.45 86.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.91 99.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.13 0.49 . . . . 0.0 109.985 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -66.29 -39.16 89.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.101 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -62.4 -41.66 98.84 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.07 -47.76 83.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.323 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -65.67 -35.69 81.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.539 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.05 -44.93 96.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.26 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 79.0 mtm -66.8 -36.58 82.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.978 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.742 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 7' ' ' GLU . 11.5 t . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.49 -45.31 94.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.2 0.524 . . . . 0.0 110.568 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.441 ' H ' HG22 ' A' ' 5' ' ' THR . 75.1 tt0 -45.66 -62.03 1.46 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.23 -58.66 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -177.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.5 pt -56.92 -50.87 74.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.688 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.13 77.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.176 0.512 . . . . 0.0 109.891 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -61.89 -45.67 92.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.085 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -44.3 91.22 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.562 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -57.2 -44.51 83.74 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.393 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.82 -56.48 17.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -54.24 -47.31 72.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.284 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -55.94 -51.83 66.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.528 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 5.9 t -57.29 -36.14 70.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.66 -42.74 95.2 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.445 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 21' ' ' LYS . 61.9 m-85 -69.76 -51.64 32.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.871 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 35.4 t0 -61.07 76.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.54 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.0 mmmt -60.36 -52.66 64.29 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.314 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 22.6 p-10 -63.42 -17.24 62.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.992 0.425 . . . . 0.0 109.895 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 61.43 43.42 99.36 Favored Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.827 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -91.64 -3.23 56.59 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 117.008 0.404 . . . . 0.0 110.971 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . . . 99.9 6.89 53.81 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -144.41 173.33 11.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -121.37 139.08 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 29' ' ' THR . 86.0 m -119.24 168.24 11.08 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.016 0.436 . . . . 0.0 111.075 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.476 ' N ' ' CG2' ' A' ' 28' ' ' THR . 69.1 p -60.36 -43.11 96.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.556 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.425 ' O ' ' OG1' ' A' ' 34' ' ' THR . 57.8 mttp -68.62 -41.87 78.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.762 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -57.85 -59.09 5.77 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 tp -62.63 -48.4 79.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.797 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.55 -43.74 36.7 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 19.6 m -61.37 -46.5 89.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.8 t -61.81 -37.77 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.013 0.435 . . . . 0.0 110.759 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.3 mtp -65.92 -50.57 63.97 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.434 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -66.2 -47.82 72.64 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.182 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.2 p -51.12 -27.38 8.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.2 mt -82.01 -12.32 58.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.233 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 16.41 42.73 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -80.73 132.43 35.55 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.97 0.414 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -38.62 155.77 0.12 Allowed Pre-proline 0 N--CA 1.467 0.411 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.234 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.56 117.26 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.506 2.138 . . . . 0.0 111.585 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 t -150.79 11.67 0.67 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.356 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -55.46 -20.21 11.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.217 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.23 -42.31 55.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.224 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -57.33 -48.85 77.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.012 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' N ' ' CD2' ' A' ' 48' ' ' LEU . 4.3 mm? -60.29 -51.02 71.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.682 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -45.84 -40.93 10.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.418 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -71.6 -39.84 70.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.992 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.4 mtm -68.66 -45.29 72.13 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.77 0.319 . . . . 0.0 111.225 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.429 HG21 HD12 ' A' ' 52' ' ' ILE . 75.3 mt -62.27 -42.66 96.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.437 ' OD1' ' O ' ' A' ' 53' ' ' ASN . 33.4 t-20 -50.41 -26.38 4.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.683 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -98.15 -38.94 9.12 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.53 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.9 t -62.45 -44.58 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.629 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 10.2 t70 -47.91 129.18 14.32 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.856 0.36 . . . . 0.0 110.664 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.33 -42.06 60.06 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.026 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -95.67 1.63 53.63 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.459 0.171 . . . . 0.0 111.155 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.546 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 71.16 25.64 75.23 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -74.63 -22.18 59.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.966 0.412 . . . . 0.0 110.554 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.9 20.62 49.61 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.6 p -131.74 153.11 50.4 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.811 0.339 . . . . 0.0 110.792 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.433 HG21 HD13 ' A' ' 63' ' ' ILE . 26.4 mm -105.94 120.36 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.363 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -78.5 172.2 14.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.203 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.542 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -54.43 -52.33 70.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.352 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 21.3 Cg_endo -59.37 -51.71 5.96 Favored 'Trans proline' 0 N--CA 1.503 2.03 0 C-N-CA 122.359 2.04 . . . . 0.0 113.352 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -48.79 -50.35 34.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 31.6 t80 -61.3 -49.33 77.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.185 0.516 . . . . 0.0 110.71 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tt -53.6 -27.48 26.95 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.34 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.7 m . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.711 -179.094 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.56 97.9 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 111.041 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.11 -40.78 98.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.145 0.497 . . . . 0.0 110.124 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 66.2 m -60.71 -45.37 94.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.244 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -70.26 -51.01 33.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.566 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.85 -45.63 88.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.444 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.07 92.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.026 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.01 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.53 -43.58 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.67 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.74 -45.64 93.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.795 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.79 88.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.483 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.83 94.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.122 0.487 . . . . 0.0 109.989 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -63.25 -44.3 95.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.598 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -61.27 -39.95 92.28 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.94 -47.22 87.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.368 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -64.6 -40.78 96.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.309 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.32 -40.68 97.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.413 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 38.6 tpp -64.81 -24.18 67.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.876 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.801 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 179.312 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 6' ' ' GLU . 90.7 m . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 120.879 0.371 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.441 ' N ' ' CG2' ' A' ' 5' ' ' THR . 42.9 tp10 -50.81 -55.52 16.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.261 0.553 . . . . 0.0 110.484 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.533 ' CG ' ' H ' ' A' ' 8' ' ' GLN . 13.9 pt-20 -44.41 -55.93 4.63 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.996 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.533 ' H ' ' CG ' ' A' ' 7' ' ' GLU . 96.0 mm-40 -43.07 -58.18 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.6 pt -57.87 -47.96 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.476 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.41 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -55.88 -48.3 75.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.989 -0.444 . . . . 0.0 110.014 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -53.4 -43.36 67.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.32 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.58 -44.24 96.8 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 110.294 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -65.63 -37.88 87.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.449 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.11 -56.33 13.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.422 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.55 -44.29 72.76 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.088 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.626 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -57.1 -51.74 68.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.713 179.333 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.549 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 54.5 m -54.01 -34.82 60.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.393 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.0 mt -66.73 -42.89 85.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.545 ' O ' ' N ' ' A' ' 21' ' ' LYS . 47.2 m-85 -73.92 -47.45 37.68 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.964 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 61.2 t0 -61.81 69.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.094 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.8 mmmt -56.18 -47.76 77.69 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.229 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.7 -18.37 59.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.11 38.56 61.35 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.782 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -92.74 -12.38 31.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 117.02 0.41 . . . . 0.0 111.234 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.64 1.26 23.03 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.7 p -142.52 154.58 44.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.308 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.41 HG21 HD11 ' A' ' 27' ' ' ILE . 97.2 mt -99.63 126.8 52.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.468 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 61.9 m -108.15 163.18 13.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.025 0.44 . . . . 0.0 111.068 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 p -58.0 -38.24 75.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.62 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' H ' HG22 ' A' ' 28' ' ' THR . 54.4 mtpt -72.59 -35.58 67.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.587 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 28' ' ' THR . 49.8 mt-10 -63.8 -64.41 0.9 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.194 0.521 . . . . 0.0 110.447 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.19 -38.52 89.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.79 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.551 ' N ' ' CD2' ' A' ' 32' ' ' LEU . . . -58.51 -42.4 95.91 Favored Glycine 0 C--N 1.329 0.167 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.9 m -60.23 -45.58 92.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.4 t -59.11 -34.86 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 120.927 0.394 . . . . 0.0 110.719 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.461 ' SD ' ' OE1' ' A' ' 41' ' ' GLN . 38.5 mmt -66.77 -41.05 88.35 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.228 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -48.98 52.6 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.61 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.6 m -52.2 -25.37 9.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.589 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.1 mt -81.32 -16.95 50.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.79 27.35 9.69 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' OE1' ' SD ' ' A' ' 36' ' ' MET . 88.3 mt-30 -89.96 123.15 33.63 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.09 0.472 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.541 ' ND2' ' H ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -37.34 154.79 0.1 OUTLIER Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.507 -178.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.39 132.91 41.5 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.921 1.747 . . . . 0.0 111.965 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.0 t -169.82 25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.338 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.4 -15.76 12.01 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.503 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.34 -40.66 26.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.341 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -61.57 -42.17 98.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.626 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 5.5 mp -64.0 -53.04 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.985 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -49.39 -36.27 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.14 -43.97 77.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.21 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 56.4 mtt -62.19 -50.4 71.95 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.048 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.433 HG21 HD12 ' A' ' 52' ' ' ILE . 90.2 mt -64.89 -42.86 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.382 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -50.68 -31.4 16.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.736 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -101.0 -41.31 6.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.406 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.56 -43.31 94.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 67.5 t0 -41.07 134.35 2.05 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.963 0.411 . . . . 0.0 110.83 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . -69.82 -44.95 68.94 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.299 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -97.31 3.97 51.01 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.534 0.207 . . . . 0.0 111.365 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.84 24.55 62.66 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.529 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 8.3 m120 -73.3 -22.02 60.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 0.0 110.452 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.71 -0.19 30.55 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 p -132.96 167.76 19.68 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.049 0.452 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.8 mt -111.7 134.92 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.221 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -87.38 174.5 8.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.734 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.626 ' CZ ' ' CZ ' ' A' ' 16' ' ' PHE . 4.4 m-85 -54.68 -66.19 1.04 Allowed Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.039 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 18.9 Cg_endo -56.23 -46.23 32.17 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.555 2.17 . . . . 0.0 113.017 -177.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -48.09 -50.33 28.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.14 -47.48 86.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.177 0.513 . . . . 0.0 110.282 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.0 -27.63 32.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.658 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.3 m . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.06 0.457 . . . . 0.0 111.975 -179.101 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.96 90.15 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 111.26 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.91 -41.93 99.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.229 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.6 t -60.58 -45.71 92.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.339 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -68.48 -43.04 77.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.616 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.92 -50.12 74.7 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.35 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.77 85.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.694 0.283 . . . . 0.0 110.976 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.17 -45.84 91.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.983 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.28 -43.71 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.392 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.46 -45.71 93.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.75 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.79 -40.39 79.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.37 96.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.161 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.64 -42.25 98.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.861 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -64.87 -40.44 95.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.42 85.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.583 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.69 -46.93 85.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.424 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 53.0 tp -63.06 -43.54 98.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.033 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 58.8 mmm -66.12 -38.2 87.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.899 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.892 0 N-CA-C 111.801 -0.52 . . . . 0.0 111.801 179.546 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 120.593 0.235 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -51.02 -55.15 18.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.159 0.504 . . . . 0.0 109.783 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.424 ' OE2' ' OE1' ' A' ' 11' ' ' GLU . 45.4 tp10 -44.43 -53.45 6.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.637 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -45.0 -59.75 2.42 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.411 HG13 ' H ' ' A' ' 10' ' ' ALA . 10.2 pt -55.75 -47.77 78.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.509 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.23 -35.16 78.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.114 0.483 . . . . 0.0 109.995 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' OE1' ' OE2' ' A' ' 7' ' ' GLU . 32.7 tp10 -58.81 -47.76 83.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.137 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.44 -41.57 96.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.303 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -57.94 -47.23 83.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.33 -55.21 37.9 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.488 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.89 -42.48 76.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.93 0.395 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.03 -51.03 71.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.6 m -56.92 -34.77 68.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.172 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.31 -43.48 86.14 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.194 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' LYS . 63.8 m-85 -68.35 -49.16 62.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.853 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 40.5 t0 -63.28 79.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.405 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PHE . 23.1 mmmt -62.17 -52.95 61.74 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.535 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 23.9 p-10 -63.62 -17.03 62.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.048 0.451 . . . . 0.0 109.821 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.92 42.65 99.75 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.991 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -93.42 -2.35 54.72 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.216 0.508 . . . . 0.0 111.149 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.99 8.81 53.55 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 2.0 p -143.54 164.82 29.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.131 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.8 mt -115.51 137.22 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' A' ' 29' ' ' THR . 80.0 m -118.95 168.84 10.41 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.029 0.443 . . . . 0.0 111.14 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.472 ' N ' ' CG2' ' A' ' 28' ' ' THR . 62.2 p -61.67 -44.59 96.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -66.73 -42.3 86.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.772 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 90.9 mt-10 -57.52 -57.07 14.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.025 0.44 . . . . 0.0 109.86 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.57 -45.82 92.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.561 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.84 -43.46 48.07 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -59.86 -47.35 86.09 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.25 -37.02 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.045 0.45 . . . . 0.0 110.523 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mtp -66.56 -40.18 88.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.209 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.61 -51.12 37.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.409 . . . . 0.0 110.736 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 t -53.11 -23.99 9.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.7 mt -83.86 -19.65 34.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.997 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.5 21.8 55.48 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.039 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -108.93 145.61 35.14 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.424 -0.456 . . . . 0.0 110.652 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.464 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.6 OUTLIER -36.02 100.45 0.2 Allowed Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.131 -179.388 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -80.6 -95.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.272 1.982 . . . . 0.0 112.149 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m 68.17 111.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.063 0.458 . . . . 0.0 110.529 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 46' ' ' ALA . 1.3 pt-20 -68.41 -53.31 24.58 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.327 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -38.88 -46.27 1.28 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.127 0.489 . . . . 0.0 109.724 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.05 -55.72 31.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.816 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.02 -52.59 64.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.647 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -46.86 -29.98 2.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.171 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -80.9 -42.81 20.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.153 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.9 mmt -66.98 -44.75 79.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.773 0.32 . . . . 0.0 111.013 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.453 HG21 HD12 ' A' ' 52' ' ' ILE . 29.1 mt -65.38 -43.99 94.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.21 -39.93 88.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.73 -40.39 92.12 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.58 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.4 m -98.6 22.46 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 5.4 t70 -87.78 112.12 22.09 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.895 0.379 . . . . 0.0 110.075 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.75 64.63 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -92.46 -5.71 51.34 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.653 0.263 . . . . 0.0 111.67 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.588 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 73.64 19.65 79.73 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -76.13 -21.42 56.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.997 0.427 . . . . 0.0 110.585 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 88.12 19.87 51.54 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.9 p -132.82 153.52 51.21 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.717 0.294 . . . . 0.0 110.699 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.6 mm -108.01 117.7 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -86.09 -177.24 6.23 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.045 0.45 . . . . 0.0 111.226 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.558 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -59.24 -43.24 96.49 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.017 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 9.0 Cg_exo -67.79 -54.82 0.31 Allowed 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 123.065 2.51 . . . . 0.0 113.073 -177.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -52.34 -45.17 65.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.889 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -63.33 -48.35 78.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.248 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.461 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 1.6 tm? -54.82 -36.09 64.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.058 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m . . . . . 0 C--N 1.321 -0.674 0 N-CA-C 112.935 0.716 . . . . 0.0 112.935 -179.409 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.279 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.51 94.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.841 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -41.08 98.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.672 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 38.8 t -58.68 -46.65 86.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.243 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -67.59 -46.11 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.754 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -64.12 -46.57 83.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.56 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.0 93.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.688 0.28 . . . . 0.0 111.096 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.45 92.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.03 -44.57 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.671 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.39 -50.22 72.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.79 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.01 -37.51 81.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.17 81.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.189 0.519 . . . . 0.0 110.055 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -65.03 -40.15 94.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.544 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -53.66 -43.98 69.28 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.32 86.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.062 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -62.17 -47.31 85.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.5 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.12 -46.95 84.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 3.2 mmt -68.24 -36.99 80.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.902 0 N-CA-C 111.791 -0.524 . . . . 0.0 111.791 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 CA--C 1.532 0.261 0 CA-C-O 120.87 0.366 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -57.39 -48.89 77.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.276 0.56 . . . . 0.0 110.045 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -46.06 -61.02 1.93 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.938 0.399 . . . . 0.0 110.481 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -44.25 -58.15 3.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.417 -177.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 pt -58.45 -50.06 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.777 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.62 -33.25 69.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.263 0.554 . . . . 0.0 109.76 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.532 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 17.2 tp10 -65.16 -41.91 94.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.131 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -66.79 -40.56 88.18 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.877 0.37 . . . . 0.0 110.494 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -62.9 -44.64 95.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.473 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.02 -56.32 23.79 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.316 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.32 -45.61 69.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.056 0.455 . . . . 0.0 110.076 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -56.01 -51.84 66.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.831 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -53.77 -35.17 61.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.197 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.49 -42.9 86.72 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.313 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' LYS . 68.7 m-85 -73.7 -46.06 48.49 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.688 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 41.8 t0 -65.32 71.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.62 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -58.99 -50.31 74.55 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.389 -179.208 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 18.7 p-10 -62.51 -18.51 62.1 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.46 41.18 95.19 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.087 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -93.01 -4.7 52.13 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 117.063 0.432 . . . . 0.0 111.128 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.72 3.22 40.11 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -143.19 165.87 26.24 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.3 mt -110.34 130.24 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.2 m -108.79 162.55 14.08 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.199 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.2 p -59.4 -43.01 93.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.363 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.48 -41.14 89.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 66.5 mt-10 -58.17 -55.16 38.6 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.78 -47.28 86.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.597 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.84 -43.26 38.87 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.5 m -60.1 -48.07 83.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.75 -41.39 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-O 120.869 0.366 . . . . 0.0 110.68 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.3 mmm -65.95 -41.66 90.97 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.546 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' GLY . 4.7 tmt_? -74.39 -50.73 17.39 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.053 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.3 m -51.57 -22.11 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.449 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.6 mt -90.67 -16.89 27.75 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.901 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 99.34 19.48 20.77 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.511 -0.376 . . . . 0.0 112.188 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -75.65 150.42 37.96 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.509 -0.407 . . . . 0.0 110.697 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -38.02 146.04 0.3 Allowed Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.591 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.538 ' O ' ' OG1' ' A' ' 44' ' ' THR . 53.9 Cg_endo -71.13 -161.66 0.09 OUTLIER 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.491 2.127 . . . . 0.0 111.226 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.538 ' OG1' ' O ' ' A' ' 43' ' ' PRO . 3.0 p 79.88 105.12 0.07 Allowed 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.859 0.725 . . . . 0.0 111.192 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 48' ' ' LEU . 77.6 tt0 -84.42 -51.62 6.8 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.219 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -37.51 -31.31 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.506 0.669 . . . . 0.0 109.336 -178.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' GLU . 68.6 mt-10 -60.02 -55.22 36.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.792 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 45' ' ' GLU . 8.1 mp -59.8 -51.16 70.92 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -51.82 -25.67 8.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.536 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -80.43 -43.51 20.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.176 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.9 mmt -61.96 -45.84 91.88 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.838 0.351 . . . . 0.0 110.728 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.423 HG22 HD12 ' A' ' 52' ' ' ILE . 81.4 mt -65.86 -42.67 92.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.356 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 29.7 t30 -47.53 -35.94 9.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.037 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -73.33 -42.64 62.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.438 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.2 m -96.7 19.2 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 46.1 p-10 -79.81 112.99 17.62 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.092 0.472 . . . . 0.0 110.495 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.79 -65.02 0.74 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.83 -0.97 57.84 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.76 23.62 77.7 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -82.17 -11.75 58.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.432 -0.384 . . . . 0.0 110.54 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.92 9.65 58.24 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.3 p -130.25 162.2 29.5 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.045 0.45 . . . . 0.0 110.603 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.9 mt -107.96 132.79 54.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.164 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -82.0 167.57 18.73 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.584 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' A' ' 16' ' ' PHE . 9.0 m-85 -50.1 -65.3 0.9 Allowed Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.979 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.7 Cg_endo -58.11 -43.98 43.19 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.481 2.121 . . . . 0.0 113.16 -177.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -47.81 -52.59 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -60.75 -46.58 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.3 0.571 . . . . 0.0 110.169 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.74 -26.89 47.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.811 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.328 -0.356 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.331 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.21 -46.86 85.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.927 0.394 . . . . 0.0 111.063 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.52 -41.52 98.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.479 0.657 . . . . 0.0 109.852 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 51.1 m -57.45 -44.18 84.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.233 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -64.88 -38.94 92.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.584 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -62.1 -46.15 90.34 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.379 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.99 87.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.674 0.273 . . . . 0.0 111.174 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.29 95.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 110.746 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.401 HD13 HG21 ' B' ' 56' ' ' ILE . 96.3 mt -65.34 -44.35 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.574 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.62 -49.86 71.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.73 88.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.57 96.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.929 0.395 . . . . 0.0 110.097 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.532 ' NH2' ' OE2' ' A' ' 11' ' ' GLU . 19.5 mmt85 -64.82 -41.11 96.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.808 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -65.73 -41.69 91.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.756 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.86 -46.24 79.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.437 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.1 -46.88 82.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.92 -47.53 82.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 76.5 mtp -67.52 -37.85 83.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.222 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 179.739 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -49.77 -58.81 4.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.316 0.579 . . . . 0.0 110.811 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.65 -58.48 3.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.395 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -46.8 -62.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.5 pt -55.0 -50.17 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.646 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.49 85.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.078 0.466 . . . . 0.0 110.226 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.34 -49.17 78.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.19 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -42.89 99.77 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.518 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -45.99 91.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.752 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.43 ' OE1' ' NZ ' ' B' ' 63' ' ' LYS . 72.5 mm-40 -63.63 -56.73 13.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.526 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.93 -36.28 67.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.097 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.419 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -58.3 -53.15 61.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.581 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -67.78 -20.57 65.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.551 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 mt -74.79 -45.59 42.6 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.929 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' LYS . 18.3 m-85 -74.45 -54.32 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.724 -178.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -52.35 86.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.481 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' PHE . 19.8 mmtp -61.07 -54.28 46.65 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.29 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.71 -17.7 61.21 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.42 44.45 93.61 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.66 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' OG1' ' A' ' 26' ' ' THR . 47.1 p-10 -96.91 -5.25 38.5 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.961 0.381 . . . . 0.0 111.301 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.96 15.1 24.95 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.424 ' OG1' ' OD1' ' A' ' 24' ' ' ASP . 2.9 p -142.82 149.42 38.57 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.0 mt -107.94 146.8 13.49 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.043 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.442 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 62.0 m -136.13 167.45 21.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 111.306 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.545 ' HG1' ' N ' ' A' ' 30' ' ' LYS . 52.4 p -60.3 -36.99 79.16 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.179 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.545 ' N ' ' HG1' ' A' ' 29' ' ' THR . 98.5 mttt -72.32 -42.1 65.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.709 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 28' ' ' THR . 56.4 mt-10 -60.77 -61.54 2.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 109.766 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.86 -46.29 85.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.28 -39.86 44.07 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 92.6 m -60.73 -49.18 78.54 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.66 -42.35 91.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.075 0.464 . . . . 0.0 110.626 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.0 mtp -66.27 -43.33 86.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.421 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 40' ' ' GLY . 14.2 tpt180 -65.11 -51.32 62.01 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.202 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.1 t -49.43 -30.88 8.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.186 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 mt -80.1 -19.6 47.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 64.35 27.18 71.29 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -102.44 -40.07 6.86 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.78 0.324 . . . . 0.0 110.692 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -136.01 81.25 39.7 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.516 ' O ' ' N ' ' A' ' 45' ' ' GLU . 42.5 Cg_endo -72.25 -21.39 23.41 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 122.625 2.216 . . . . 0.0 111.93 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.448 ' C ' ' H ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -61.57 71.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.351 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 43' ' ' PRO . 62.6 tt0 -56.95 -10.36 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.277 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.448 ' H ' ' C ' ' A' ' 44' ' ' THR . . . -74.56 -41.34 60.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.775 178.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -55.1 -46.49 75.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.46 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.493 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -63.27 -52.2 63.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.938 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.468 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 77.6 mt-30 -43.87 -42.62 5.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.411 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -70.62 -39.7 73.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.037 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.1 mmt -65.29 -46.11 81.7 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.754 0.312 . . . . 0.0 111.138 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.5 mt -64.74 -43.19 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 49' ' ' GLN . 74.9 m-20 -62.0 -40.0 94.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.739 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.27 -45.08 85.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.409 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.5 m -90.08 19.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.37 108.2 17.07 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.199 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.43 -40.49 21.12 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.896 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -86.63 -21.21 26.89 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.664 0.269 . . . . 0.0 111.401 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.04 23.36 59.44 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -83.65 -17.83 40.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.881 0.372 . . . . 0.0 110.565 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.22 10.18 75.03 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -133.72 162.32 32.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.717 0.294 . . . . 0.0 110.993 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 mm -105.12 111.06 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.815 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.91 -168.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.159 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -65.15 -63.92 3.1 Favored Pre-proline 0 C--O 1.247 0.936 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.508 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.669 ' O ' ' N ' ' A' ' 70' ' ' THR . 19.2 Cg_endo -57.47 -50.03 11.98 Favored 'Trans proline' 0 C--O 1.195 -1.661 0 C-N-CA 122.154 1.902 . . . . 0.0 112.545 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' PRO . 80.8 mm-40 -39.11 -54.13 1.76 Allowed 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.152 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -63.42 -64.45 0.9 Allowed 'General case' 0 C--O 1.258 1.513 0 CA-C-O 122.03 0.919 . . . . 0.0 111.013 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 tt -58.08 -37.35 74.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.454 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.669 ' N ' ' O ' ' A' ' 66' ' ' PRO . 25.8 m . . . . . 0 C--N 1.311 -1.08 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.316 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.87 88.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 0.0 111.167 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.56 -44.33 96.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.261 0.553 . . . . 0.0 109.785 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.2 t -60.43 -46.0 91.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.578 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -63.75 -45.75 88.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.69 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.15 -43.63 92.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.419 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.59 95.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 111.357 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.17 -41.47 90.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.8 -43.68 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.658 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.63 -44.9 96.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.776 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.34 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.597 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.48 -39.51 93.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.094 0.473 . . . . 0.0 110.055 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 tpp85 -61.29 -44.7 96.79 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.615 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.81 -41.01 99.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.249 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.43 ' NZ ' ' OE1' ' A' ' 14' ' ' GLU . 88.5 tttt -64.01 -45.17 90.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.495 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 66.4 mt -63.23 -40.66 98.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.887 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.02 -37.27 85.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.838 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 179.668 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 8' ' ' GLN . 6.0 t . . . . . 0 CA--C 1.531 0.231 0 CA-C-O 120.593 0.235 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.413 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 39.8 tp10 -55.89 -51.57 67.14 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.154 0.502 . . . . 0.0 110.022 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -45.12 -58.89 2.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.608 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.417 ' H ' HG22 ' A' ' 5' ' ' THR . 26.5 tp60 -42.65 -59.1 2.04 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.7 pt -57.09 -49.24 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 119.93 -0.708 . . . . 0.0 111.101 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.96 87.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -57.5 -47.12 82.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.039 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.32 -43.23 99.31 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.785 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -56.43 -44.5 80.49 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.519 ' OE1' ' NH1' ' B' ' 60' ' ' ARG . 96.6 mt-10 -59.57 -55.11 38.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.071 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.521 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -59.26 -40.85 87.31 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.236 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -50.89 72.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.473 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 t -57.51 -34.94 69.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.306 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.65 -43.06 85.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 21' ' ' LYS . 53.8 m-85 -71.23 -51.74 22.92 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.551 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 27.7 t0 -55.15 82.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.649 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.0 mmmt -65.05 -55.35 19.39 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.534 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 22.3 p-10 -61.67 -18.54 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.318 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 63.09 41.02 99.89 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.067 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 26' ' ' THR . 29.6 p-10 -92.83 -6.45 48.81 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.011 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.46 6.88 43.76 Favored Glycine 0 N--CA 1.468 0.773 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.424 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 2.1 p -142.48 167.72 21.42 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.8 mt -118.16 137.6 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 29' ' ' THR . 80.2 m -116.72 168.58 10.08 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.015 0.436 . . . . 0.0 111.026 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.476 ' N ' ' CG2' ' A' ' 28' ' ' THR . 81.6 p -61.49 -41.01 96.63 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.594 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -71.58 -38.88 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.703 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 86.5 mt-10 -60.15 -58.24 9.4 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.266 0.555 . . . . 0.0 109.872 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -60.54 -46.11 91.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.541 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -40.28 39.99 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 m -61.04 -50.41 73.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.45 -39.84 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.189 0.518 . . . . 0.0 110.844 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.4 mtp -69.15 -41.33 77.42 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.003 0.43 . . . . 0.0 111.445 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -70.78 -51.05 29.48 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.447 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.0 m -52.51 -22.46 4.88 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.8 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.8 mt -90.35 -15.7 30.61 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.144 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.77 12.23 57.0 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.458 -0.401 . . . . 0.0 112.139 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -90.33 168.64 11.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.933 0.366 . . . . 0.0 110.69 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -35.03 98.45 0.15 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.387 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -81.05 19.41 1.16 Allowed 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.486 2.124 . . . . 0.0 111.642 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 46' ' ' ALA . 15.8 p -65.08 85.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -54.62 -12.96 0.84 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.333 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 44' ' ' THR . . . -84.21 -40.26 18.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.227 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.02 -45.26 93.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.392 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.532 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 6.6 mp -63.91 -54.32 36.56 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.902 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -49.6 -35.22 20.16 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.616 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -79.9 -43.83 21.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.2 mmt -62.45 -45.26 93.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.69 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.4 mt -64.18 -41.67 93.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -54.87 -39.5 68.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.687 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.72 -42.75 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.407 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.59 34.45 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.2 p30 -80.02 -151.96 0.07 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.973 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.11 -75.11 0.08 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.388 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -92.0 0.56 57.47 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.133 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.3 15.46 76.53 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -72.44 -14.91 61.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 110.586 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.28 16.14 80.01 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -129.39 159.27 36.75 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.089 0.471 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.41 HG23 HD13 ' A' ' 63' ' ' ILE . 33.9 mm -103.53 123.24 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.421 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -84.0 176.01 9.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.438 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 m-85 -51.56 -65.46 0.96 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.013 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.9 Cg_endo -59.09 -43.65 40.71 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.465 2.11 . . . . 0.0 112.692 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -50.09 -50.43 48.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -61.42 -48.61 80.39 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.509 0.671 . . . . 0.0 110.593 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.94 -24.77 40.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.427 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.9 m . . . . . 0 C--N 1.327 -0.394 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.78 88.74 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 111.144 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.91 -45.18 94.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.357 0.599 . . . . 0.0 109.962 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 80.3 p -62.45 -43.72 98.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -64.53 -45.02 88.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.272 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.25 -39.18 93.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.318 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.62 92.09 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.634 0.254 . . . . 0.0 111.202 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.61 88.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.4 -44.26 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.512 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -63.04 -48.52 78.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.786 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.94 95.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.13 -43.82 94.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.077 0.465 . . . . 0.0 110.245 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . 0.519 ' NH1' ' OE1' ' A' ' 14' ' ' GLU . 16.8 mmm180 -63.81 -42.68 97.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.048 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -64.81 -43.69 92.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 109.884 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.87 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.285 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.0 -37.47 87.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.88 -49.07 78.95 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.071 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -35.06 60.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.153 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.166 -179.647 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 8' ' ' GLN . 8.7 t . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 120.884 0.373 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.61 -55.12 24.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.087 0.47 . . . . 0.0 110.192 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -44.68 -58.66 2.91 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.498 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.409 ' H ' HG22 ' A' ' 5' ' ' THR . 38.3 tp60 -46.01 -58.86 3.22 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -177.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.5 pt -57.26 -49.55 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.863 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.72 82.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.061 0.458 . . . . 0.0 109.885 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -57.8 -45.49 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.671 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.46 -44.15 95.3 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.209 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -56.58 -45.17 81.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.324 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.55 -55.16 38.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.125 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.514 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.68 -40.97 85.1 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.179 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CZ ' ' CE1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -58.96 -51.64 69.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.152 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.5 t -56.4 -35.61 67.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.11 -43.73 86.35 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.691 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 53.1 m-85 -70.83 -50.19 38.12 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.802 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.473 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 37.1 t0 -60.46 76.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.823 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.7 mmmt -61.26 -51.74 67.64 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.345 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.421 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 5.3 m-20 -60.5 -18.11 49.72 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.49 41.64 98.75 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.946 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -98.13 -2.08 40.82 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.904 0.352 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.473 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 97.21 10.01 54.94 Favored Glycine 0 N--CA 1.468 0.818 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 p -141.96 159.61 41.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -113.67 139.88 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.444 ' CG2' ' N ' ' A' ' 29' ' ' THR . 90.9 m -124.54 165.37 17.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 111.216 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.444 ' N ' ' CG2' ' A' ' 28' ' ' THR . 36.7 p -56.54 -43.76 80.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.429 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -67.51 -41.77 83.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.795 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 28' ' ' THR . 54.3 mt-10 -58.32 -60.92 3.02 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 tp -61.91 -48.31 81.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.871 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.66 -44.32 23.0 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.4 m -60.27 -47.81 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.6 t -60.94 -40.54 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.732 0.301 . . . . 0.0 110.611 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.0 mtp -66.14 -43.17 87.81 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.29 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -68.36 -51.23 46.62 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.663 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.8 p -50.58 -28.0 7.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.457 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.0 mt -80.57 -17.98 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.16 19.19 17.39 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -74.33 129.13 37.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -51.01 152.67 3.59 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.469 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -40.35 97.86 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 122.321 2.014 . . . . 0.0 111.721 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 t -137.85 -1.67 1.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.272 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -53.35 -22.04 6.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.399 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 -43.04 57.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.255 0.55 . . . . 0.0 110.22 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -55.99 -47.01 78.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.445 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -61.3 -50.99 70.73 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.101 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -45.56 -43.55 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.035 0.445 . . . . 0.0 110.802 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -72.12 -39.41 68.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.255 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.7 mmt -69.39 -48.26 61.71 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.625 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.448 HG23 HD12 ' A' ' 52' ' ' ILE . 30.9 mt -57.63 -42.1 80.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -60.27 -17.81 44.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.839 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -94.69 -55.27 3.19 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.477 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.4 m -65.41 -21.23 28.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 25.8 t0 -58.43 125.71 24.47 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.66 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.97 61.44 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.226 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -91.39 -3.73 56.41 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.554 0.216 . . . . 0.0 111.301 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 68.65 27.86 73.54 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.452 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 32.5 t-20 -79.79 -14.79 58.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 110.724 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.54 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 88.96 12.2 64.12 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.8 p -128.41 156.8 42.59 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.022 0.439 . . . . 0.0 110.737 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.401 HG22 HD13 ' A' ' 63' ' ' ILE . 28.0 mm -104.34 121.93 56.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.021 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 7.4 p30 -81.57 175.06 10.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.421 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.46 ' CE1' ' CZ ' ' A' ' 16' ' ' PHE . 2.9 m-85 -51.59 -64.72 1.26 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.394 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.2 Cg_endo -57.31 -47.53 21.84 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.477 2.118 . . . . 0.0 113.58 -177.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -49.65 -51.92 34.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.142 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 29.5 t80 -61.8 -49.13 77.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.143 0.497 . . . . 0.0 110.5 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tt -52.07 -28.8 18.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m . . . . . 0 C--N 1.327 -0.396 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.293 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . 0.431 ' O ' ' OG ' ' B' ' 51' ' ' SER . . . . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.17 97.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.969 0.414 . . . . 0.0 111.126 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.02 -41.94 97.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.578 ' HG ' ' N ' ' B' ' 52' ' ' TRP . 77.2 p -60.44 -43.81 96.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.16 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . 0.578 ' N ' ' HG ' ' B' ' 51' ' ' SER . 55.1 m95 -66.45 -42.34 87.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.575 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.53 -41.29 96.47 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.438 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.21 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 111.326 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.35 -48.7 55.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.345 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' B' ' 57' ' ' ASP . 20.2 tt -67.48 -43.02 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 110.837 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . 0.464 ' N ' ' CG2' ' B' ' 56' ' ' ILE . 63.7 t0 -63.29 -39.21 93.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.494 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.0 -49.27 18.09 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.644 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.92 94.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.07 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -64.77 -41.75 95.64 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.56 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.499 ' O ' ' SD ' ' B' ' 65' ' ' MET . 59.6 tt0 -53.85 -45.49 70.96 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.65 91.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.956 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -63.14 -44.43 95.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.471 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 38.7 tp -61.85 -43.48 98.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.947 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' MET . . . . . 0.562 ' N ' ' SD ' ' B' ' 65' ' ' MET . 0.0 OUTLIER -66.25 -37.38 85.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.41 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 C-N-CA 121.217 -0.516 . . . . 0.0 111.94 179.608 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 121.217 0.532 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 39.2 tp10 -46.9 -57.89 4.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.775 0.798 . . . . 0.0 110.216 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.58 -56.68 4.87 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.541 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -45.58 -56.34 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 13.2 pt -57.63 -47.6 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.81 -178.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.89 -36.57 83.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.122 0.487 . . . . 0.0 109.815 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.12 -48.72 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.35 -38.97 93.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.895 0.379 . . . . 0.0 110.099 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -45.59 82.19 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.32 -54.75 43.17 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.757 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -56.25 -39.82 73.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.984 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -52.47 65.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -54.96 -32.58 61.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.943 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.4 -41.88 75.85 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.856 -0.337 . . . . 0.0 111.48 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 21' ' ' LYS . 60.7 m-85 -71.63 -55.41 7.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.803 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 28.0 t0 -54.33 84.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.751 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 19' ' ' PHE . 33.1 mmtt -65.96 -55.21 17.94 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.658 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 21.8 p30 -63.06 -18.54 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 64.05 41.37 98.56 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.023 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -89.66 -5.55 56.99 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.021 0.41 . . . . 0.0 111.24 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.38 0.78 50.48 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -140.07 158.6 43.8 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.2 mt -107.62 139.79 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.137 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.547 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 5.4 t -130.05 -176.94 4.1 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.991 0.424 . . . . 0.0 110.854 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.6 p -60.44 -46.51 89.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.107 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' H ' HG22 ' A' ' 28' ' ' THR . 55.1 mtpt -65.88 -46.39 78.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.304 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' A' ' 28' ' ' THR . 28.0 mt-10 -54.56 -60.38 3.43 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.259 0.552 . . . . 0.0 109.856 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.16 -45.24 94.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.752 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.17 -43.89 33.36 Favored Glycine 0 N--CA 1.454 -0.138 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.4 m -59.31 -49.61 77.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.81 -40.69 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 41.9 mtp -66.66 -40.75 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.693 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' GLY . 75.8 ttt180 -76.18 -50.83 13.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 m -50.32 -25.13 3.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.686 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.83 -14.31 34.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 95.56 19.13 30.63 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 112.083 -0.407 . . . . 0.0 112.083 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.514 ' HG2' ' H ' ' A' ' 42' ' ' ASN . 26.0 tt0 -96.46 177.84 5.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.015 0.436 . . . . 0.0 110.527 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.514 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 12.6 m120 -36.25 101.92 0.22 Allowed Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.273 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -74.83 -16.24 20.76 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.56 2.174 . . . . 0.0 112.031 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.33 125.38 23.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.557 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 46' ' ' ALA . 68.3 tt0 -81.76 -44.64 16.73 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.799 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -39.23 -45.67 1.4 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.427 0.632 . . . . 0.0 109.306 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -58.98 -54.6 45.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.257 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mp -54.04 -50.98 65.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -51.72 -28.7 15.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.37 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -78.62 -46.82 18.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.964 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.411 ' CE ' ' HG ' ' B' ' 51' ' ' SER . 64.0 mtt -65.24 -44.7 87.37 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.73 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 mt -64.22 -43.42 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -61.88 -39.37 91.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.059 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -66.47 -39.68 88.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.183 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.5 m -105.09 27.26 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' A' ' 57' ' ' ALA . 38.5 t0 -75.69 -140.34 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.754 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.543 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . -168.88 -73.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.253 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -85.24 -2.09 57.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.682 0.277 . . . . 0.0 111.449 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.27 12.39 82.25 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.94 -20.16 61.8 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.086 0.469 . . . . 0.0 110.387 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.63 17.04 66.88 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.1 p -130.69 156.72 44.45 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.822 0.344 . . . . 0.0 110.774 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.05 119.64 53.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.163 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -84.13 176.89 8.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.305 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.4 m-85 -50.34 -66.43 0.65 Allowed Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.151 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.2 Cg_endo -57.35 -43.3 53.33 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.429 2.086 . . . . 0.0 113.185 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -50.57 -52.97 34.15 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.667 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -61.58 -45.31 94.67 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.522 0.677 . . . . 0.0 110.024 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.44 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 2.4 tm? -54.91 -35.88 64.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.137 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.5 m . . . . . 0 C--N 1.323 -0.546 0 O-C-N 121.617 -0.677 . . . . 0.0 112.606 -178.78 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.08 -39.23 93.62 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.02 0.438 . . . . 0.0 110.999 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.42 -42.72 98.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.44 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.411 ' HG ' ' CE ' ' A' ' 51' ' ' MET . 72.0 m -60.23 -45.07 94.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.416 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -66.46 -46.91 74.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.407 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -61.85 -41.87 98.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.307 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . 0.441 ' CB ' HE22 ' A' ' 41' ' ' GLN . . . -65.52 -40.45 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.191 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.05 93.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.362 . . . . 0.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.4 HG22 HD13 ' B' ' 56' ' ' ILE . 94.9 mt -65.13 -43.93 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.654 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.37 -47.9 82.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.792 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.63 -38.41 77.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.77 72.72 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.35 0.595 . . . . 0.0 110.134 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -65.78 -34.03 77.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.731 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -56.44 -45.59 80.71 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.75 89.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.279 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -63.4 -44.28 95.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.708 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.54 -45.76 91.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 88.7 mmm -67.65 -37.76 82.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.126 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.816 -0.513 . . . . 0.0 111.816 179.476 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 8' ' ' GLN . 7.7 t . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.68 -49.72 76.38 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 121.241 0.543 . . . . 0.0 109.659 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -46.07 -55.18 7.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.828 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.446 ' H ' HG23 ' A' ' 5' ' ' THR . 45.2 tp60 -45.91 -58.15 3.78 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.1 pt -56.78 -47.3 82.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.708 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.32 94.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.33 0.586 . . . . 0.0 109.921 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -52.21 -44.89 65.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.412 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.19 -43.1 96.1 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.066 179.621 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -56.97 -45.87 82.58 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.85 0.357 . . . . 0.0 110.372 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.8 -53.45 57.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.761 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.77 80.06 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.276 0.56 . . . . 0.0 109.934 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -51.28 70.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.738 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.2 t -54.17 -36.68 63.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.13 -42.57 96.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' LYS . 55.3 m-85 -71.5 -50.42 31.68 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.631 -0.428 . . . . 0.0 112.036 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 66.4 t0 -61.8 71.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.265 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.8 mmmt -56.44 -48.99 75.87 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.905 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -61.29 -16.95 50.89 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.403 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.57 41.14 72.66 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.773 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -92.76 -3.76 54.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.066 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.56 3.41 43.59 Favored Glycine 0 N--CA 1.466 0.695 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.9 p -144.11 165.57 27.44 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -110.19 132.12 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' A' ' 29' ' ' THR . 88.4 m -112.87 164.06 13.88 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.961 0.41 . . . . 0.0 110.865 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.433 ' N ' ' CG2' ' A' ' 28' ' ' THR . 32.0 p -56.58 -41.74 77.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.609 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 34' ' ' THR . 99.5 mttt -69.0 -42.85 75.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.656 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -57.33 -62.88 1.46 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.052 0.453 . . . . 0.0 109.94 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 HD21 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.44 -45.19 94.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.719 178.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' N ' HD21 ' A' ' 32' ' ' LEU . . . -52.39 -44.45 58.57 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -178.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 20.0 m -61.94 -44.28 97.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.62 -39.83 84.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 CA-C-O 120.693 0.282 . . . . 0.0 111.069 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.2 mmm -67.12 -47.34 71.44 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.631 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -69.38 -50.21 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.51 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.4 t -52.08 -21.33 3.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.522 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.4 mt -82.68 -12.78 57.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.351 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.79 17.91 26.76 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -82.65 123.98 29.77 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.969 0.414 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -42.1 155.21 0.25 Allowed Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.29 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -40.06 98.49 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.271 0 C-N-CA 122.191 1.927 . . . . 0.0 111.622 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -135.46 -1.15 2.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -53.97 -19.12 4.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.398 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.27 -40.37 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.153 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -58.16 -47.5 83.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.551 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.2 mm? -64.56 -51.44 62.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.227 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -46.64 -42.17 15.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.448 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -68.67 -38.88 80.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.714 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.9 mmt -63.98 -47.82 78.85 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.6 mt -62.4 -42.91 97.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -52.33 -17.65 1.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' C ' ' H ' ' A' ' 56' ' ' ASP . 84.3 tt0 -99.62 -58.82 1.84 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.284 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.47 30.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 22.8 t0 -89.37 114.18 25.58 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.261 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.84 -67.57 0.35 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -91.93 -3.57 55.78 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.05 17.3 74.85 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -71.46 -21.08 62.0 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.016 0.436 . . . . 0.0 110.534 -179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 91.5 20.8 36.55 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 p -137.66 160.9 37.92 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.737 0.303 . . . . 0.0 110.805 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.5 mm -110.38 129.08 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.372 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.45 -179.24 5.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.392 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -49.99 -68.11 0.39 Allowed Pre-proline 0 CA--C 1.546 0.811 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.468 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 21.0 Cg_endo -58.89 -48.06 15.92 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.399 2.066 . . . . 0.0 113.365 -177.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -51.07 -48.53 61.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.939 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' C ' ' CD1' ' A' ' 68' ' ' PHE . 25.1 t80 -59.01 -50.04 75.62 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.818 0.818 . . . . 0.0 109.802 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 2.2 tm? -59.01 -56.35 23.39 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.469 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.321 -0.657 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.687 -177.719 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.59 90.15 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 111.033 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.62 -41.45 98.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.31 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 70.8 m -59.28 -43.47 92.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.207 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -66.24 -45.79 79.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.629 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.27 -39.04 89.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.047 0.451 . . . . 0.0 111.528 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.75 76.22 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.412 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.81 75.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.347 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.436 HG23 HD13 ' B' ' 56' ' ' ILE . 0.3 OUTLIER -66.46 -40.17 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.238 0.542 . . . . 0.0 110.622 -179.33 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -61.72 -43.22 99.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.222 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.41 -39.11 74.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.478 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.71 98.34 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.027 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -48.17 79.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.476 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -65.04 -40.39 94.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.101 0.477 . . . . 0.0 109.837 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.36 89.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.586 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.43 -47.48 83.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.73 -41.74 98.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.099 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 26.7 ttt -65.96 -37.71 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.98 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 179.562 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.885 0.374 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.41 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 83.7 tt0 -46.56 -58.61 3.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.395 0.617 . . . . 0.0 110.701 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.582 ' CG ' ' H ' ' A' ' 8' ' ' GLN . 5.4 pt-20 -47.33 -59.53 3.13 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.494 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.582 ' H ' ' CG ' ' A' ' 7' ' ' GLU . 67.0 mt-30 -42.55 -55.3 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 11.2 pt -61.03 -48.31 89.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.821 -0.752 . . . . 0.0 110.581 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.9 82.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -54.26 -41.72 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.944 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.28 -44.56 94.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.065 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -59.42 -44.53 92.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -57.94 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.69 -43.18 84.92 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.068 0.461 . . . . 0.0 110.094 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -50.89 71.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.691 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -57.08 -32.7 66.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.52 -41.2 84.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.736 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' LYS . 31.1 m-85 -80.77 -43.68 19.77 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.592 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 68.2 t0 -65.47 61.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.344 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.3 mmmt -51.93 -43.5 63.48 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.48 -19.41 62.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.52 37.21 74.04 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.968 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.3 p-10 -98.44 -17.85 18.56 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.927 0.364 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.479 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 114.7 9.72 13.83 Favored Glycine 0 N--CA 1.469 0.859 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.43 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -143.55 154.73 43.9 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.2 mt -112.95 126.3 70.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 31' ' ' GLU . 15.2 t -114.64 176.86 4.87 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.068 0.461 . . . . 0.0 111.125 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 p -61.36 -38.42 86.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.809 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.409 ' O ' ' OG1' ' A' ' 34' ' ' THR . 8.4 mtmp? -68.53 -45.1 73.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.151 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' H ' HG23 ' A' ' 28' ' ' THR . 33.1 mt-10 -58.94 -63.25 1.37 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 109.917 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.4 tp -61.65 -49.55 76.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.745 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.33 -41.08 23.6 Favored Glycine 0 CA--C 1.518 0.243 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 96.6 m -61.48 -51.81 67.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.83 -40.46 85.23 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-O 120.741 0.305 . . . . 0.0 111.037 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 53.6 mmm -65.67 -29.38 69.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.919 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -74.39 -50.36 18.9 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.343 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.7 t -60.24 -30.98 69.77 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.215 0.531 . . . . 0.0 110.779 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.27 -30.11 68.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.467 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.35 18.59 10.16 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.45 HE21 ' ND2' ' A' ' 42' ' ' ASN . 69.8 tp60 -78.85 155.35 29.18 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.058 0.456 . . . . 0.0 110.899 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.45 ' ND2' HE21 ' A' ' 41' ' ' GLN . 80.0 m-20 -37.04 142.43 0.37 Allowed Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.505 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' A' ' 45' ' ' GLU . 56.3 Cg_endo -72.28 -7.7 21.42 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 122.554 2.169 . . . . 0.0 111.864 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -57.8 77.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.305 0.574 . . . . 0.0 111.456 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 43' ' ' PRO . 15.3 pt-20 -69.6 -7.97 43.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.547 0.689 . . . . 0.0 110.163 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.64 65.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.598 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -57.04 -47.43 80.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.704 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.511 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 7.3 mp -61.99 -49.26 76.76 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -52.27 -45.49 65.45 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -73.56 -41.72 62.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.238 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.1 mmt -61.03 -49.9 75.53 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.635 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.4 mt -64.27 -42.19 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 53' ' ' ASN . 35.5 t-20 -57.37 -35.78 70.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.735 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -67.44 -44.03 79.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.261 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 56' ' ' ASP . 18.8 m -95.35 16.9 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 55' ' ' VAL . 54.7 p30 -59.88 -145.36 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.977 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.38 -66.15 0.12 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.22 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -99.37 12.08 37.32 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.492 0.187 . . . . 0.0 111.441 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.67 18.1 79.85 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -108.28 -0.27 20.91 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.458 -0.371 . . . . 0.0 110.366 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.668 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 71.43 176.4 24.56 Favored Glycine 0 C--O 1.221 -0.705 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.668 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 17.5 p 92.28 138.13 0.03 OUTLIER 'General case' 0 C--N 1.347 0.496 0 O-C-N 124.271 0.63 . . . . 0.0 111.396 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.6 mm -105.86 135.41 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.161 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.44 176.28 6.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.485 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.2 m-85 -52.94 -66.1 0.89 Allowed Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.947 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 18.6 Cg_endo -58.95 -44.25 36.82 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.49 2.127 . . . . 0.0 113.065 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -48.94 -54.94 13.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.037 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -61.06 -49.08 78.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.264 0.554 . . . . 0.0 110.575 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.37 -27.29 46.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.769 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.28 96.75 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.967 0.413 . . . . 0.0 111.047 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.9 tp -63.14 -40.25 97.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.149 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 15.8 t -61.14 -44.58 97.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.267 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -63.27 -46.64 85.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.407 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -65.35 -42.93 92.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.479 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.89 86.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.611 0.243 . . . . 0.0 111.144 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.38 91.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.728 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.79 -44.04 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.04 -47.76 84.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.793 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.74 77.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.81 97.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.135 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -62.24 -46.24 89.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.849 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -64.89 -38.91 92.54 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.87 95.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.381 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.46 -42.93 98.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.51 -43.23 99.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.47 -36.81 83.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.905 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 179.736 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 6' ' ' GLU . 9.9 t . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 120.758 0.313 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.482 ' N ' ' OG1' ' A' ' 5' ' ' THR . 83.3 tt0 -69.66 -40.72 76.28 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.779 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.425 ' H ' HG22 ' A' ' 5' ' ' THR . 32.0 tt0 -51.56 -62.86 1.36 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -49.02 -53.75 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -176.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.6 pt -54.54 -43.83 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.333 -177.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.45 84.91 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.899 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.2 -46.39 85.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.802 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -43.56 98.51 Favored 'General case' 0 CA--C 1.533 0.288 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.34 -44.14 75.64 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.298 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.23 -55.28 33.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.538 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.31 -40.99 79.02 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.839 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -49.92 75.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.7 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -57.93 -32.54 67.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.948 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.92 -45.01 68.46 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.987 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 43.4 m-85 -73.27 -44.35 59.44 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.569 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 44.5 t0 -64.01 70.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.902 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.9 mmmt -58.57 -49.17 78.41 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.038 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' OD2' ' OD2' ' A' ' 24' ' ' ASP . 41.8 t0 -60.49 -18.24 50.43 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.96 40.54 95.52 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.539 178.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.59 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -99.87 -7.89 24.75 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.213 0.507 . . . . 0.0 110.783 179.632 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.455 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 101.87 10.64 39.66 Favored Glycine 0 N--CA 1.467 0.757 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -141.33 150.99 43.2 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.8 mt -110.02 144.22 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.553 HG22 ' H ' ' A' ' 31' ' ' GLU . 2.9 t -138.43 164.49 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.186 0.517 . . . . 0.0 110.882 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.452 ' H ' ' HG1' ' A' ' 28' ' ' THR . 5.6 p -51.51 -42.7 61.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.887 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -64.62 -44.62 89.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.453 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.553 ' H ' HG22 ' A' ' 28' ' ' THR . 88.4 mt-10 -63.52 -62.38 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.196 0.522 . . . . 0.0 110.244 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -43.6 98.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.497 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' THR . . . -54.51 -42.63 76.54 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -178.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.4 m -59.56 -47.87 83.86 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.17 -41.31 86.24 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-O 120.823 0.344 . . . . 0.0 110.466 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.481 ' CE ' ' OE1' ' A' ' 41' ' ' GLN . 59.0 mmm -63.78 -40.77 97.46 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.027 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -68.81 -50.58 48.9 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.116 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -52.21 -33.05 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.628 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.4 mt -69.55 -18.69 63.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.206 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.25 24.72 10.04 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.481 ' OE1' ' CE ' ' A' ' 36' ' ' MET . 88.6 mt-30 -82.22 126.77 32.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.562 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.432 ' CB ' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -50.13 179.39 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.433 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.162 -178.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 42' ' ' ASN . 26.6 Cg_exo -61.41 100.79 0.19 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.265 1.977 . . . . 0.0 111.645 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.7 t -148.1 2.42 0.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.926 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.82 -16.08 4.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.285 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.14 -42.6 62.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.392 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 15.7 mp0 -53.32 -49.33 67.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.73 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.36 -48.59 77.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.549 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -47.64 -48.53 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.756 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -70.43 -39.28 74.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.44 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.9 mtt -65.34 -42.77 92.55 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.447 HG21 HD12 ' A' ' 52' ' ' ILE . 25.9 mt -63.8 -44.92 98.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -62.2 -32.21 72.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.714 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -77.99 -56.44 4.48 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 m -64.43 -34.96 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' A' ' 59' ' ' GLY . 60.9 t0 -40.62 130.03 2.46 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.451 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . -85.76 -39.91 16.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.808 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -87.3 -20.61 26.58 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 111.337 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.521 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 80.75 17.46 72.83 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.51 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 99.3 m-20 -71.57 -19.95 62.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.977 0.418 . . . . 0.0 110.316 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.58 7.02 60.6 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.1 p -129.74 161.19 31.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.657 0.265 . . . . 0.0 110.684 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.417 HG23 HD13 ' A' ' 63' ' ' ILE . 24.7 mm -105.33 124.66 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -91.56 -176.94 4.66 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 111.253 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -52.66 -46.05 96.18 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.372 -179.134 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 2.1 Cg_endo -75.0 -50.49 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.783 2.322 . . . . 0.0 113.085 -176.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -53.79 -41.72 67.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.464 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -71.71 -65.71 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.505 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 tt -47.87 -26.22 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.571 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.8 m . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.128 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.03 95.52 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.112 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.01 -43.94 97.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.252 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 71.9 m -64.65 -52.31 58.0 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.718 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -47.77 84.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.142 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -65.94 -37.73 86.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.245 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.74 -34.97 75.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.079 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.59 -49.79 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.447 ' N ' ' CD1' ' B' ' 56' ' ' ILE . 2.2 mp -65.28 -43.9 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 110.719 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.27 -45.51 94.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.692 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.51 79.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.594 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.22 92.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.136 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -62.16 -45.99 90.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.558 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -65.94 -40.55 91.48 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.41 99.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.46 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.49 -45.69 89.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 63.1 mt -63.4 -42.99 98.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.922 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 95.7 mtp -68.14 -37.63 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.088 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 179.664 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.534 0.335 0 CA-C-O 120.767 0.318 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -55.3 -53.49 55.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.105 0.479 . . . . 0.0 110.203 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -45.71 -57.65 4.08 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.862 0.363 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -44.36 -57.68 3.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -176.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.424 HG22 HD13 ' A' ' 9' ' ' ILE . 13.5 pt -56.95 -47.09 83.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.675 -178.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.03 93.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 0.0 109.979 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -57.93 -45.25 86.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.808 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -65.64 -40.21 92.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.179 179.745 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.3 -40.69 74.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.099 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.9 -54.67 31.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.915 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.44 -39.62 76.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.046 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -50.06 75.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.678 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.6 t -57.26 -33.46 67.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.148 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.8 mt -68.51 -42.53 78.44 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.615 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.0 m-85 -71.87 -52.65 16.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.771 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.468 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.5 t0 -59.85 77.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.599 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -60.99 -52.26 65.76 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.288 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.542 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.9 p-10 -61.99 -18.72 61.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 60.41 41.66 98.63 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.113 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -89.81 -4.06 57.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.005 0.402 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.43 1.48 47.19 Favored Glycine 0 N--CA 1.467 0.722 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -140.68 170.51 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -114.77 134.67 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 29' ' ' THR . 51.4 m -110.05 164.35 12.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.107 0.48 . . . . 0.0 111.175 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.401 ' N ' ' CG2' ' A' ' 28' ' ' THR . 7.3 m -61.13 -42.16 98.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.793 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -70.39 -41.03 73.57 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.767 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -54.71 -60.04 3.9 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.8 tp -58.58 -47.56 83.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.791 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.01 -43.52 31.64 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.6 m -61.31 -47.06 87.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.18 -35.78 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.978 0.418 . . . . 0.0 110.631 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 42.6 mmm -67.98 -47.29 68.95 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.677 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -67.34 -47.47 70.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.792 0.33 . . . . 0.0 110.474 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.8 p -52.46 -25.27 9.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.713 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.0 mt -83.27 -11.72 57.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.88 19.37 22.19 Favored Glycine 0 N--CA 1.465 0.628 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -84.12 122.93 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.003 0.43 . . . . 0.0 110.756 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -42.02 148.6 0.47 Allowed Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.575 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -42.17 120.04 1.45 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.167 1.911 . . . . 0.0 111.804 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -150.7 17.28 0.79 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.423 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -53.52 -19.58 3.9 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.285 0.564 . . . . 0.0 110.401 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.61 -41.04 55.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.206 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -57.26 -43.9 83.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.595 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 6.7 mp -62.02 -52.3 64.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.033 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -47.62 -42.71 24.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.873 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -79.03 -41.43 28.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.661 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.6 mmt -62.65 -50.33 71.65 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.992 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.407 ' C ' ' H ' ' A' ' 54' ' ' GLU . 63.2 mt -64.32 -43.92 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.947 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -46.84 -17.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.187 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 52' ' ' ILE . 79.6 mm-40 -104.59 -54.96 2.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.645 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 m -89.53 34.96 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.569 ' OD1' ' N ' ' A' ' 62' ' ' THR . 14.4 t70 -85.93 -24.41 26.58 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.884 0.373 . . . . 0.0 111.078 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 56' ' ' ASP . . . 82.58 -61.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -96.46 -4.57 41.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.47 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.566 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 69.28 16.78 71.56 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 98.0 m-20 -75.26 -23.51 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.407 . . . . 0.0 110.577 -179.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.533 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 100.05 -0.27 56.16 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.569 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 5.6 p -121.97 155.12 36.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.975 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.3 mm -103.7 121.48 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.087 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -82.52 174.7 10.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.4 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -51.24 -65.98 0.8 Allowed Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.138 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 16.4 Cg_endo -56.06 -44.8 43.47 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.685 2.256 . . . . 0.0 113.203 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -49.55 -53.64 22.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -61.25 -46.84 88.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.804 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 2.3 tm? -51.95 -37.87 54.4 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.27 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.656 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.2 94.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.775 0.321 . . . . 0.0 111.157 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.65 -41.8 99.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.335 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -59.27 -46.7 87.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.351 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -67.44 -46.54 72.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.582 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -59.34 -44.83 92.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.454 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.88 97.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.032 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.31 -46.59 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.25 -44.22 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.414 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -63.99 -45.56 88.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.784 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.73 82.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.1 93.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.011 0.434 . . . . 0.0 110.026 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -66.07 -39.68 90.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.08 -40.69 95.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.821 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.95 -47.67 82.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.43 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.77 -41.06 96.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.568 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.6 tp -61.61 -45.91 92.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.16 -36.43 79.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.894 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.878 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 179.74 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 120.787 0.327 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.409 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 81.4 tt0 -46.35 -57.22 4.82 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 121.121 0.486 . . . . 0.0 110.123 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -43.59 -56.19 3.85 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.178 -0.326 . . . . 0.0 110.468 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -41.92 -58.84 1.91 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 10' ' ' ALA . 10.3 pt -58.6 -49.48 82.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.196 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.417 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -58.74 -37.05 75.33 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -59.47 -44.82 92.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.179 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.27 -43.93 96.54 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.011 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -60.44 -45.53 93.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.368 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -56.01 -54.31 46.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.027 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.69 -45.96 88.32 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.315 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -49.74 74.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -58.45 -37.68 75.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.455 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.94 -41.43 97.95 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.19 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 62.6 m-85 -73.11 -41.11 64.37 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.912 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.531 ' OD2' ' N ' ' A' ' 26' ' ' THR . 46.2 t0 -66.96 68.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.072 -179.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.8 mmmt -57.65 -47.61 81.78 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.698 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 20.1 t0 -57.42 -16.11 8.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.89 36.98 56.82 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.195 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -98.13 -2.53 39.78 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.931 0.366 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.86 4.75 51.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.531 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 4.9 p -143.69 156.68 44.61 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 122.553 -0.38 . . . . 0.0 110.095 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -105.05 127.36 59.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 29' ' ' THR . 61.2 m -108.38 164.82 12.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.481 ' N ' ' CG2' ' A' ' 28' ' ' THR . 40.0 p -54.76 -43.48 72.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.693 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.436 ' H ' HG21 ' A' ' 28' ' ' THR . 9.2 mtpm? -67.4 -40.92 85.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.713 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.09 -57.43 12.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.086 0.47 . . . . 0.0 109.877 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.15 -48.77 80.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.747 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.13 -44.11 26.0 Favored Glycine 0 CA--C 1.519 0.309 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.1 m -59.71 -49.27 78.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.98 -41.79 90.45 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 CA-C-O 120.629 0.252 . . . . 0.0 110.855 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 61.3 mmm -63.36 -34.25 77.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.353 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -80.6 -50.35 10.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.2 m -48.84 -18.53 0.28 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.759 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.9 mt -68.13 -14.12 62.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.369 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.14 39.07 2.53 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.68 -0.568 . . . . 0.0 111.68 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.454 ' CG ' ' H ' ' A' ' 42' ' ' ASN . 46.0 tt0 -144.6 171.84 13.81 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.579 -0.365 . . . . 0.0 110.628 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.539 ' N ' ' ND2' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -116.44 77.72 7.94 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.232 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -79.48 177.26 8.71 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.9 2.4 . . . . 0.0 111.657 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.9 m -120.59 148.78 43.43 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 110.599 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.531 ' CG ' ' H ' ' A' ' 46' ' ' ALA . 6.0 pt-20 -70.12 -56.09 7.77 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.18 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.531 ' H ' ' CG ' ' A' ' 45' ' ' GLU . . . -39.68 -43.64 1.4 Allowed 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -57.56 -63.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.045 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 mp -57.27 -50.36 73.16 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.432 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 26.3 mt-30 -50.56 -26.84 5.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.513 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -80.52 -42.76 21.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.846 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.4 mmt -62.32 -45.53 92.81 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.623 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.6 mt -66.54 -44.92 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 49' ' ' GLN . 7.4 m120 -60.41 -37.54 81.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.81 -40.07 95.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.145 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.633 ' CG2' ' H ' ' A' ' 56' ' ' ASP . 29.5 m -98.33 -67.27 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 119.483 -0.294 . . . . 0.0 111.709 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.633 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 10.8 p-10 30.67 -138.07 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.065 0.228 . . . . 0.0 111.122 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -173.2 -71.55 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.715 0.293 . . . . 0.0 110.78 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.65 -3.47 59.04 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.071 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.47 7.98 85.61 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -71.82 -16.11 62.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.993 0.425 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.01 17.67 64.71 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -127.27 153.67 45.86 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.001 0.429 . . . . 0.0 110.812 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.6 mm -107.85 128.61 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.536 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -96.94 175.67 6.25 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.416 0.627 . . . . 0.0 110.895 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -47.25 -56.03 13.84 Favored Pre-proline 0 C--O 1.243 0.751 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.703 -179.564 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 41.6 Cg_endo -69.96 -41.6 3.88 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.148 1.899 . . . . 0.0 112.67 -178.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -58.48 -44.0 89.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.341 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 19.7 t80 -61.44 -50.08 74.24 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.444 0.64 . . . . 0.0 109.999 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.94 -51.42 68.17 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.289 -0.565 . . . . 0.0 110.96 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.7 m . . . . . 0 C--N 1.322 -0.62 0 O-C-N 122.16 -0.338 . . . . 0.0 111.568 -178.178 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.31 94.82 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.842 0.353 . . . . 0.0 111.166 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.27 -43.17 98.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.302 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -60.3 -46.43 89.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.35 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -66.89 -46.58 74.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.403 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.1 -44.89 96.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.434 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.38 93.42 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.266 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.77 90.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.94 -44.13 97.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.635 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.05 -48.42 80.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.6 91.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.519 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.58 -39.1 92.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.025 0.441 . . . . 0.0 109.907 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -63.39 -45.38 91.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.778 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.02 -38.93 92.52 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.62 98.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.514 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.9 -44.25 96.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.652 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.97 -44.13 97.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.0 mmm -67.9 -36.47 80.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.088 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 179.625 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 6' ' ' GLU . 94.2 m . . . . . 0 N--CA 1.467 0.424 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.425 ' N ' ' CG2' ' A' ' 5' ' ' THR . 44.0 tt0 -47.57 -59.96 2.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.39 0.614 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.49 -60.97 1.88 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.556 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -44.29 -60.36 1.95 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 10' ' ' ALA . 16.0 pt -55.51 -49.8 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.784 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -58.78 -29.45 66.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -66.12 -46.85 76.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.208 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.491 ' CZ ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -63.26 -44.63 94.59 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.183 -179.362 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -57.2 -47.86 80.21 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.55 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -56.99 -56.28 23.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.995 0.426 . . . . 0.0 110.367 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.65 -42.67 88.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.252 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.89 -51.7 68.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.836 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 t -56.39 -35.71 68.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.5 -43.16 86.07 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.584 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.8 m-85 -69.68 -52.9 21.57 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.715 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 26' ' ' THR . 45.8 t0 -59.86 76.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.941 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.4 mmmt -61.6 -52.97 62.21 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.293 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 4.6 m-20 -59.02 -19.17 41.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.63 41.7 99.78 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.817 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -95.81 -2.26 47.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.813 0.306 . . . . 0.0 111.249 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.74 8.48 55.75 Favored Glycine 0 N--CA 1.468 0.772 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 12.6 p -141.48 169.78 16.96 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.9 mt -119.56 142.98 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.471 ' CG2' ' N ' ' A' ' 29' ' ' THR . 96.4 m -127.97 165.22 20.68 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.065 0.459 . . . . 0.0 111.226 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.645 ' HG1' ' N ' ' A' ' 30' ' ' LYS . 40.2 p -54.5 -44.11 72.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.579 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.645 ' N ' ' HG1' ' A' ' 29' ' ' THR . 98.9 mttt -67.6 -41.81 83.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.85 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 55.7 mt-10 -60.2 -63.33 1.34 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.171 0.51 . . . . 0.0 109.989 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD21 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -61.85 -44.42 96.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.559 179.079 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' N ' HD21 ' A' ' 32' ' ' LEU . . . -53.28 -43.55 64.65 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -178.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.4 m -60.85 -47.24 87.25 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.52 -40.68 79.57 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 CA-C-O 120.656 0.265 . . . . 0.0 111.012 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 40.5 mtp -65.59 -38.75 90.38 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.298 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -73.22 -50.85 20.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.776 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -51.06 -32.2 21.2 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.785 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.16 -13.17 62.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.73 24.37 38.93 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 112.147 -0.381 . . . . 0.0 112.147 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -91.58 144.35 25.63 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.999 0.4 . . . . 0.0 110.651 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -42.76 153.85 0.31 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.464 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.75 125.19 14.93 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.353 2.035 . . . . 0.0 111.633 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.428 ' OG1' ' OE1' ' A' ' 47' ' ' GLU . 10.5 t -156.98 14.48 0.27 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.442 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -55.32 -19.06 7.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.207 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.84 -44.18 50.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.153 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' OE1' ' OG1' ' A' ' 44' ' ' THR . 86.0 mt-10 -54.83 -50.53 68.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.103 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.27 -51.0 70.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.212 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -44.87 -44.25 9.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.735 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -71.37 -38.42 71.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.027 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.6 mmt -70.45 -48.28 56.64 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.418 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.1 mt -61.1 -42.92 95.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -58.37 -16.31 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 56' ' ' ASP . 41.1 tt0 -97.83 -59.83 1.69 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.565 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.2 m -62.46 4.72 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 10.8 t0 -79.7 121.71 25.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.679 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.39 -48.01 62.49 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.243 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -90.74 -8.2 50.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.422 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 75.27 25.41 68.53 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.064 -1.215 . . . . 0.0 110.064 -179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -79.92 -10.63 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 0.0 110.551 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.558 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 80.04 18.25 72.65 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.1 p -132.03 158.45 41.51 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.896 0.379 . . . . 0.0 111.011 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.7 mm -104.66 120.03 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.294 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -81.69 176.3 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.196 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -52.8 -61.56 4.56 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.977 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 15.5 Cg_endo -55.45 -48.16 22.0 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.529 2.153 . . . . 0.0 113.229 -176.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -54.98 -47.0 75.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.089 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.64 -64.39 0.96 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.13 0.491 . . . . 0.0 110.755 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tt -46.04 -26.8 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.575 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m . . . . . 0 C--N 1.328 -0.338 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.022 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.74 89.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -42.69 99.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.53 0.681 . . . . 0.0 109.957 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.0 m -55.13 -44.15 74.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.157 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -68.28 -46.81 69.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.52 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -61.18 -46.92 88.49 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.478 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.32 90.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.703 0.287 . . . . 0.0 111.197 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.85 96.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.901 0.381 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.42 -44.12 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.59 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -60.72 -48.96 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.78 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.6 85.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.579 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.0 98.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 110.148 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -45.17 91.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.625 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.74 -41.6 97.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.81 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.5 -46.02 91.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.436 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.05 -43.4 98.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.447 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -52.4 64.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 80.8 mtp -67.66 -36.71 81.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.042 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 179.618 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.536 ' HG1' ' N ' ' A' ' 6' ' ' GLU . 6.3 t . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 120.941 0.4 . . . . 0.0 110.76 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.536 ' N ' ' HG1' ' A' ' 5' ' ' THR . 80.2 tt0 -53.9 -50.12 67.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.186 0.517 . . . . 0.0 109.958 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -44.94 -58.97 2.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.261 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -44.41 -59.42 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.7 pt -58.22 -49.99 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.728 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.63 -33.4 68.22 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -63.93 -45.5 88.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.091 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -61.93 -42.5 99.17 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.14 -179.426 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' C ' ' CD ' ' A' ' 13' ' ' LYS . 3.0 tmtt? -60.55 -46.98 88.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.255 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -55.63 -56.62 18.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.329 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.27 -46.46 76.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.935 0.397 . . . . 0.0 110.43 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.85 -50.4 72.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.992 178.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.3 t -58.34 -36.62 73.7 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.35 -43.19 95.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.373 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.8 m-85 -69.01 -50.58 47.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.783 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 36.4 t0 -60.83 82.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.63 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.1 mmmt -66.55 -54.01 28.44 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.532 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 21.4 p-10 -60.84 -18.83 58.07 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -178.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 65.54 42.7 95.52 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.233 178.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' OD1' ' OG1' ' A' ' 26' ' ' THR . 33.7 p-10 -99.65 2.16 44.2 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.847 0.323 . . . . 0.0 111.179 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.524 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 91.49 11.55 60.7 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.4 ' OG1' ' OD1' ' A' ' 24' ' ' ASP . 0.8 OUTLIER -144.25 158.52 43.69 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -110.42 134.58 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 29' ' ' THR . 95.2 m -113.35 164.71 13.23 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.189 0.518 . . . . 0.0 111.501 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.469 ' N ' ' CG2' ' A' ' 28' ' ' THR . 31.7 p -57.05 -45.84 82.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.43 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.419 ' H ' HG22 ' A' ' 28' ' ' THR . 51.0 mtpt -68.81 -43.64 75.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.77 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.428 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 85.1 mt-10 -53.91 -54.89 32.4 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.16 -46.58 89.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.639 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.54 -44.88 37.59 Favored Glycine 0 CA--C 1.518 0.225 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.0 m -59.51 -46.96 87.33 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.38 -41.97 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-O 120.818 0.342 . . . . 0.0 110.719 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 60.0 mmm -66.63 -39.71 88.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.508 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -74.3 -52.58 11.85 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.6 m -50.52 -25.92 4.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.774 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 mt -88.0 -18.03 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.26 14.19 31.28 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.459 ' HG3' ' H ' ' A' ' 42' ' ' ASN . 21.1 tp60 -92.79 174.97 6.98 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.893 0.378 . . . . 0.0 110.794 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.459 ' H ' ' HG3' ' A' ' 41' ' ' GLN . 6.2 p30 -36.68 104.0 0.26 Allowed Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.364 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.68 -16.86 23.61 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.355 2.037 . . . . 0.0 112.09 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.436 ' OG1' ' OE1' ' A' ' 47' ' ' GLU . 63.1 p -51.8 105.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.672 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 48' ' ' LEU . 68.2 tt0 -72.58 -55.76 6.4 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.397 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -38.44 -36.98 0.27 Allowed 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.465 0.65 . . . . 0.0 109.438 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' OE1' ' OG1' ' A' ' 44' ' ' THR . 85.1 tt0 -60.25 -53.06 62.14 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.481 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' A' ' 45' ' ' GLU . 7.3 mp -59.88 -51.97 67.44 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -46.79 -26.22 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.421 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -79.4 -41.13 28.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.256 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.4 mtt -61.37 -48.41 81.37 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.694 0.283 . . . . 0.0 110.836 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mt -66.13 -43.91 91.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.473 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 95.1 m-20 -65.36 -27.24 68.43 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.892 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -79.99 -48.88 12.65 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.268 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.5 m -71.11 -26.26 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.473 ' OD1' ' O ' ' A' ' 53' ' ' ASN . 51.9 p-10 -86.84 74.21 9.82 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.924 0.392 . . . . 0.0 110.927 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.79 -45.62 20.59 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.767 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.58 -4.77 28.88 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.14 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.45 78.9 1.01 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 30.3 p30 -114.61 -22.67 9.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.446 -0.377 . . . . 0.0 111.344 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.667 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 41.59 102.41 0.01 OUTLIER Glycine 0 C--N 1.344 1.014 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.667 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 23.3 p 96.91 166.06 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 124.49 0.759 . . . . 0.0 110.803 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.4 mm -109.69 119.18 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.009 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -86.38 177.21 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.181 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -54.18 -52.8 65.54 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.31 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 21.2 Cg_endo -60.34 -54.23 2.32 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.34 2.027 . . . . 0.0 113.597 -177.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -50.78 -50.09 56.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -60.49 -48.09 83.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.426 0.632 . . . . 0.0 110.627 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.87 -25.57 56.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.589 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.6 m . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.49 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.42 96.61 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.63 -40.87 97.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.246 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.3 t -60.09 -45.13 93.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.228 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -63.79 -45.78 88.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.564 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.99 -42.78 94.23 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.41 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.64 91.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.173 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.86 95.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 110.7 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -44.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.395 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.27 -49.09 77.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.79 91.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.696 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.37 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.981 0.42 . . . . 0.0 110.018 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -62.63 -44.29 96.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.728 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.2 -42.22 99.29 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.51 89.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.523 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.66 -43.08 97.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.384 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.21 -44.65 96.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 93.8 mtp -67.86 -37.56 82.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.031 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 179.345 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 6' ' ' GLU . 3.8 t . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.415 ' N ' ' OG1' ' A' ' 5' ' ' THR . 79.1 tt0 -62.51 -44.21 96.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.083 0.468 . . . . 0.0 110.311 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.25 -61.0 1.97 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.232 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -46.95 -61.4 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.8 pt -54.73 -49.28 69.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 119.596 -0.842 . . . . 0.0 110.606 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.8 84.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.051 0.453 . . . . 0.0 110.261 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -57.02 -49.54 75.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.111 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -46.19 90.87 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.013 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -56.72 -43.76 80.93 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 123.401 0.438 . . . . 0.0 110.696 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.28 -56.79 9.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.79 -39.71 78.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.914 0.387 . . . . 0.0 110.386 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.66 -53.59 55.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.8 t -67.34 -21.88 65.62 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.411 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.8 mt -74.18 -43.9 55.48 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 21' ' ' LYS . 35.7 m-85 -71.89 -58.54 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.639 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.0 t0 -52.66 84.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.439 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.9 mmtp -60.41 -53.5 56.84 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.451 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 55.3 p30 -64.96 -15.97 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.127 0.489 . . . . 0.0 109.893 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 57.35 42.49 93.68 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.438 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -82.64 -14.68 54.29 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.988 0.394 . . . . 0.0 111.111 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.23 -12.54 14.19 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 p -127.18 159.21 34.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.735 0.303 . . . . 0.0 110.209 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.08 138.55 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.533 ' CG2' ' H ' ' A' ' 29' ' ' THR . 46.6 m -123.33 173.57 7.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.176 0.512 . . . . 0.0 111.41 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.533 ' H ' ' CG2' ' A' ' 28' ' ' THR . 77.3 p -66.47 -39.02 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.446 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' A' ' 34' ' ' THR . 99.0 mttt -72.19 -42.64 65.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.912 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -59.08 -58.25 9.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.056 0.455 . . . . 0.0 109.835 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.349 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.75 -38.76 54.06 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 19.8 m -60.88 -50.37 73.69 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.1 t -62.54 -41.37 91.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-O 121.088 0.471 . . . . 0.0 111.033 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.6 mtp -67.78 -45.45 74.78 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.613 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -66.3 -50.73 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -56.45 -22.41 31.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.7 mt -87.37 -17.82 31.46 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.09 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.91 5.31 47.56 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -75.5 157.52 33.88 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.57 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 44' ' ' THR . 1.9 m120 -34.48 96.51 0.1 Allowed Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.472 -178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.564 ' O ' ' N ' ' A' ' 45' ' ' GLU . 31.8 Cg_exo -56.0 -8.75 2.53 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.401 2.067 . . . . 0.0 111.87 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 46' ' ' ALA . 24.0 p -48.39 83.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.283 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' PRO . 17.5 pt-20 -57.22 -7.68 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.332 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 44' ' ' THR . . . -81.36 -38.99 25.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.284 178.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -58.51 -44.41 89.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.73 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.535 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 6.3 mp -66.08 -54.1 29.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.752 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 76.7 mt-30 -47.36 -37.72 11.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.541 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.8 -43.27 55.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.341 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.0 mmt -64.43 -45.66 86.56 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.917 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.9 mt -66.3 -41.97 89.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 49' ' ' GLN . 77.0 m-20 -56.27 -39.24 72.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -78.56 -44.96 22.92 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.782 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.8 -43.89 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.784 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.582 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 36.3 t0 -45.59 122.21 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.717 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.29 -33.9 20.5 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.101 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -86.87 -7.94 57.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.589 0.233 . . . . 0.0 111.39 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.72 24.81 71.46 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.582 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 45.7 p-10 -84.6 -21.36 30.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.62 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.72 -5.57 54.2 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.9 p -127.69 163.6 23.94 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.667 0.27 . . . . 0.0 110.752 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.2 mm -107.02 116.81 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.324 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.44 179.62 1.6 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.026 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.669 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -73.25 -52.92 5.06 Favored Pre-proline 0 C--O 1.245 0.816 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.14 -179.249 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 37.9 Cg_endo -65.53 -33.37 46.38 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.791 1.661 . . . . 0.0 112.593 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -60.74 -53.65 54.78 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.601 -0.44 . . . . 0.0 112.008 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -58.6 -53.62 56.26 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 121.629 0.728 . . . . 0.0 110.157 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 tt -63.37 -41.66 98.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.626 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 2.0 m . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.75 91.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.772 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.89 -42.71 99.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.259 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -59.56 -45.13 92.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.228 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -65.88 -44.11 86.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.637 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -64.44 -41.37 96.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.024 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.89 96.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.187 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.35 -41.88 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.48 -43.73 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -59.5 -48.77 80.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.766 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.04 87.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.677 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.11 95.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.045 0.45 . . . . 0.0 110.112 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -63.78 -44.92 91.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.37 -40.2 96.61 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.9 92.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.46 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -63.2 -47.11 83.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.84 -43.31 88.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.5 mmm -68.35 -37.25 80.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.036 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.898 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.758 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.407 HG22 ' H ' ' A' ' 8' ' ' GLN . 7.2 t . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.821 0.343 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.423 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 43.2 tt0 -52.61 -51.41 60.06 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 121.577 0.704 . . . . 0.0 110.131 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -45.73 -58.14 3.71 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.407 ' H ' HG22 ' A' ' 5' ' ' THR . 1.8 tp-100 -42.65 -54.76 3.86 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -176.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.0 pt -60.76 -48.28 89.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.695 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.48 84.78 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -55.55 -42.09 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.191 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.549 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.77 -44.29 96.57 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -62.23 -45.62 92.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.32 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -54.03 -51.98 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.94 -44.16 86.78 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.154 0.502 . . . . 0.0 110.371 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -50.05 75.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.829 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.4 t -57.28 -36.01 70.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.304 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.22 -44.53 95.03 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.394 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 56.1 m-85 -73.88 -39.41 63.94 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.608 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 65.3 t0 -66.69 62.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.07 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.3 mmmt -55.92 -45.93 78.6 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.17 -16.79 35.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 55.49 35.72 62.22 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.895 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -98.5 -11.28 22.44 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.966 0.383 . . . . 0.0 111.364 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.12 7.44 30.82 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.71 151.47 40.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -107.34 128.77 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.568 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 5.3 t -115.81 173.32 6.62 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.061 0.457 . . . . 0.0 110.995 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -55.58 -41.77 73.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.805 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' H ' HG22 ' A' ' 28' ' ' THR . 59.5 mttp -67.32 -42.19 84.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.768 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' THR . 14.8 mt-10 -57.85 -64.71 0.81 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.933 0.397 . . . . 0.0 110.092 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.97 -49.0 76.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.699 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.75 -45.64 24.57 Favored Glycine 0 CA--C 1.519 0.3 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.7 m -60.22 -48.92 79.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.63 -40.25 85.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.1 mmm -65.25 -41.01 94.74 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.303 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -75.62 -49.37 18.68 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.88 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.4 m -50.48 -20.11 1.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.56 -9.98 59.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.184 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.55 30.93 23.07 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.254 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -94.49 136.69 34.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.98 0.419 . . . . 0.0 110.686 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.438 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.9 p30 -46.93 155.59 0.61 Allowed Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.283 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -46.97 123.89 8.0 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.098 1.866 . . . . 0.0 112.212 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -167.13 16.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.12 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -70.57 -14.82 62.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.346 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.2 -43.43 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.241 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -55.7 -45.99 77.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.483 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -63.6 -47.07 82.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.745 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -48.54 -47.07 39.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.747 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -70.23 -36.5 74.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.209 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.3 mmt -67.94 -43.3 79.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.123 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.2 mt -62.53 -43.41 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -64.3 -35.51 81.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -73.74 -55.28 6.44 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.867 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.3 m -63.88 -20.02 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.574 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 19.8 t70 -53.04 135.95 36.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 110.467 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.18 -45.1 70.82 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.431 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -101.02 9.32 42.34 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 111.552 0.205 . . . . 0.0 111.552 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 61.93 20.43 60.01 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.421 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 19.7 t-20 -91.08 -18.6 24.29 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.588 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.727 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 90.72 154.79 30.73 Favored Glycine 0 C--O 1.221 -0.697 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.727 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 38.3 p 100.38 140.85 0.01 OUTLIER 'General case' 0 C--N 1.349 0.573 0 O-C-N 124.726 0.897 . . . . 0.0 110.971 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.8 mm -111.93 134.9 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -99.55 173.83 6.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.993 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.498 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -53.63 -53.46 56.93 Favored Pre-proline 0 CA--C 1.545 0.768 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.391 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 29.1 Cg_endo -62.78 -51.13 3.29 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.205 1.936 . . . . 0.0 112.942 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -59.38 -38.89 81.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.405 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 68' ' ' PHE . 19.6 t80 -58.62 -47.99 82.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.546 0.689 . . . . 0.0 109.958 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.29 -48.52 81.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.323 -0.554 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.661 -178.47 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.38 99.35 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.012 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.51 -41.16 98.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.248 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 66.6 m -58.98 -45.12 91.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.426 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -64.37 -45.41 87.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.462 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.35 -40.4 95.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.365 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.29 93.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.611 0.243 . . . . 0.0 111.082 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.32 94.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.29 -43.61 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.98 -47.39 86.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.783 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.16 82.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.79 96.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 0.0 110.044 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -65.03 -41.04 95.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.892 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.01 -44.25 93.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.951 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.38 -41.21 93.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.432 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.47 -45.27 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.608 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.3 -45.35 93.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 3.5 tpt -67.77 -37.77 82.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.821 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 179.814 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.524 ' N ' ' OXT' ' A' ' 77' ' ' LYS . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -63.19 -40.49 97.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.543 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -82.78 134.47 35.12 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.619 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' A' ' 5' ' ' THR . 5.3 tp -74.34 159.33 32.54 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.802 -179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.408 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 2.0 t -173.0 173.28 3.75 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.25 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -50.76 -55.12 18.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 110.099 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' OE2' ' OE1' ' A' ' 11' ' ' GLU . 47.3 tp10 -44.5 -56.51 4.24 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -45.53 -59.61 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 pt -57.24 -49.0 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.402 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.48 73.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.06 0.457 . . . . 0.0 109.811 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' OE1' ' OE2' ' A' ' 7' ' ' GLU . 27.8 tp10 -62.35 -45.39 93.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.963 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.05 -44.24 97.11 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.418 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' CD ' ' C ' ' A' ' 13' ' ' LYS . 4.7 tmtt? -61.66 -46.9 87.75 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.171 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -56.89 -55.72 30.82 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.524 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -56.2 -44.26 79.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.998 0.428 . . . . 0.0 110.42 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -50.76 72.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.834 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -57.05 -36.0 69.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.949 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.83 -43.37 88.77 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.464 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' LYS . 60.5 m-85 -68.96 -50.36 49.83 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.719 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 39.2 t0 -60.12 78.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.69 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.4 mmmt -64.34 -53.25 51.67 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.4 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 52.0 p-10 -61.75 -17.15 54.83 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.647 -0.421 . . . . 0.0 109.954 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 62.62 41.59 99.79 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.946 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -92.7 -5.15 51.95 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 117.044 0.422 . . . . 0.0 110.946 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.47 ' O ' ' CE2' ' A' ' 65' ' ' PHE . . . 100.52 0.98 55.48 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -139.92 160.73 39.26 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.9 mt -107.66 142.01 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' A' ' 29' ' ' THR . 97.6 m -125.29 163.95 21.42 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.148 0.499 . . . . 0.0 110.941 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.466 ' N ' ' CG2' ' A' ' 28' ' ' THR . 37.6 p -55.37 -45.29 76.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.554 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.27 -42.12 88.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.823 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -58.01 -58.74 7.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.0 0.429 . . . . 0.0 110.088 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.32 -48.19 80.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.34 -44.75 28.14 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.9 m -60.65 -47.23 87.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.35 -41.2 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 CA-C-O 120.859 0.361 . . . . 0.0 110.705 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtp -64.95 -38.73 91.92 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.24 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -73.37 -50.66 20.76 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.045 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.3 t -53.31 -32.32 48.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.891 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.3 mt -74.34 -17.82 60.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.298 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.31 18.07 53.9 Favored Glycine 0 N--CA 1.463 0.443 0 N-CA-C 111.748 -0.541 . . . . 0.0 111.748 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -101.69 173.04 6.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.695 0.283 . . . . 0.0 111.019 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -36.22 101.1 0.21 Allowed Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.292 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' O ' ' N ' ' A' ' 45' ' ' GLU . 57.6 Cg_endo -77.63 18.02 0.88 Allowed 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.328 2.018 . . . . 0.0 112.178 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 t -60.46 71.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.366 0.603 . . . . 0.0 111.01 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 43' ' ' PRO . 67.4 tt0 -62.11 -11.72 15.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.496 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.09 -42.99 30.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.697 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -58.98 -45.2 91.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.644 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -63.84 -52.63 59.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.998 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -47.4 -38.43 13.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -75.18 -41.1 58.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.2 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.6 mmt -66.8 -44.32 81.58 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.14 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.401 HD12 HG22 ' A' ' 52' ' ' ILE . 36.8 mt -63.42 -43.06 98.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -53.57 -19.55 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.758 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -92.84 -60.44 1.81 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.601 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.7 m -63.54 -21.69 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 40.2 p-10 -51.39 109.53 0.35 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.906 0.384 . . . . 0.0 110.665 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -50.65 64.1 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.116 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -81.7 -18.71 43.44 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.617 0.246 . . . . 0.0 111.412 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.16 19.73 68.92 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -81.1 -9.85 59.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.366 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.05 19.62 58.92 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.7 p -132.82 156.67 46.71 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 110.714 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.428 HD11 HG22 ' A' ' 63' ' ' ILE . 27.2 mm -106.98 122.34 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.297 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -82.0 171.01 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.302 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.483 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -52.79 -52.74 61.77 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.31 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 20.6 Cg_endo -58.25 -48.58 15.22 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 122.111 1.874 . . . . 0.0 113.494 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -53.51 -51.87 61.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.218 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.31 -47.78 82.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.241 0.544 . . . . 0.0 110.399 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.11 -27.15 65.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.668 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -86.23 -66.39 0.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.4 ptp -48.63 -19.01 0.3 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.962 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -87.36 -25.18 23.98 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.93 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.94 7.17 43.35 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.858 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -57.78 -60.3 3.91 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.941 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -131.72 -143.67 0.24 Allowed 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 76' ' ' MET . 0.0 OUTLIER 68.09 68.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.169 0.509 . . . . 0.0 109.98 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.524 ' OXT' ' N ' ' A' ' 1' ' ' ALA . 17.7 mmtp . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.058 -0.973 . . . . 0.0 110.623 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.5 p -81.42 166.71 20.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.871 0.367 . . . . 0.0 110.501 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.53 -24.12 0.75 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.408 ' O ' ' OG ' ' B' ' 51' ' ' SER . . . -63.08 -47.17 84.06 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.49 93.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 110.963 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.77 -43.32 99.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.385 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' B' ' 48' ' ' ALA . 79.3 p -61.77 -42.76 99.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.209 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -64.26 -47.78 78.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -66.88 -40.33 87.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.475 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.39 98.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.115 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.19 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.732 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.04 -43.86 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -62.61 -45.64 91.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.461 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.65 -38.15 80.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 110.502 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.66 80.79 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.195 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -65.35 -36.55 84.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.583 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -55.9 -45.68 78.59 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.2 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.157 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -61.26 -46.88 88.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.28 -42.84 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.794 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.6 mmm -67.73 -37.33 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.92 21.54 61.13 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.858 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 26.4 p -74.48 161.38 29.83 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 122.617 -0.343 . . . . 0.0 110.684 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.698 179.927 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 43.86 -101.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.711 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.473 ' O ' ' O ' ' A' ' 4' ' ' LEU . 5.4 mm-40 -156.34 98.41 1.84 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 3' ' ' GLN . 1.5 tp 42.56 -171.6 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.538 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 4' ' ' LEU . 4.7 m -168.73 165.8 11.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.283 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -54.69 -52.47 62.28 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 121.291 0.567 . . . . 0.0 110.406 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' HG3' ' H ' ' A' ' 8' ' ' GLN . 4.9 pt-20 -45.01 -55.28 5.69 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.474 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 87.9 mm-40 -45.79 -59.01 3.03 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.6 pt -56.69 -47.71 82.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.499 -178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.99 89.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.958 0.409 . . . . 0.0 110.127 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -57.0 -45.15 83.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.51 -44.14 97.11 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -43.52 95.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.72 -55.09 33.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.3 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.66 -42.12 74.61 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.028 0.442 . . . . 0.0 110.377 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -50.03 74.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 t -57.29 -34.28 68.52 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.088 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.71 -42.63 81.66 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.528 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.6 m-85 -72.22 -52.98 13.94 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.892 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 39.7 t0 -56.22 85.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.672 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -65.94 -54.22 29.1 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.573 -179.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 31.3 p-10 -63.52 -17.03 62.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.57 42.22 99.72 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.009 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 24.4 p-10 -93.08 -0.76 56.99 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 117.199 0.5 . . . . 0.0 111.128 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.56 4.98 56.99 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.494 -0.643 . . . . 0.0 111.494 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 1.7 p -142.34 163.91 31.57 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -112.78 136.78 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 29' ' ' THR . 62.8 m -114.0 166.2 11.85 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.87 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.434 ' N ' ' CG2' ' A' ' 28' ' ' THR . 43.9 p -61.61 -44.3 97.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.473 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -67.37 -41.49 84.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -56.12 -57.47 12.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.832 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.75 -47.32 85.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.825 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.65 -44.12 29.61 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -61.52 -46.4 90.1 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.44 -38.38 81.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 58.6 mmm -66.71 -47.5 72.15 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.367 179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -67.8 -48.57 65.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.915 0.388 . . . . 0.0 110.504 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.1 m -54.16 -22.74 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.568 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.8 mt -93.35 -16.69 24.38 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.976 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.22 5.65 57.07 Favored Glycine 0 N--CA 1.467 0.706 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -75.02 152.37 38.7 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 43' ' ' PRO . 8.2 t-20 -35.29 98.98 0.16 Allowed Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.369 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.463 ' O ' ' O ' ' A' ' 42' ' ' ASN . 36.0 Cg_exo -55.1 -143.18 0.0 OUTLIER 'Trans proline' 0 N--CA 1.501 1.935 0 C-N-CA 122.675 2.25 . . . . 0.0 112.308 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m 71.58 113.56 0.06 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.67 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' ALA . 11.0 pt-20 -82.04 -45.77 14.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.255 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -39.47 -41.85 1.03 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -58.59 -59.47 5.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.668 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.2 mm? -60.33 -51.27 70.25 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.798 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -47.39 -29.48 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.341 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -80.33 -41.6 24.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.431 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.0 mmt -67.63 -44.19 78.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 52' ' ' ILE . 34.7 mt -64.71 -43.42 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.876 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -53.06 -30.51 36.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.761 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -73.98 -53.88 9.11 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 5.0 m -69.92 -25.01 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -50.38 116.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.03 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.56 -43.5 72.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.82 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -99.97 -0.09 40.05 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.674 0.273 . . . . 0.0 111.262 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.16 23.93 74.68 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -72.02 -22.93 61.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.227 0.536 . . . . 0.0 110.439 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.19 16.9 42.09 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.5 p -136.24 158.39 44.53 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.682 0.277 . . . . 0.0 110.889 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.431 HD11 HG23 ' A' ' 63' ' ' ILE . 24.9 mm -103.98 120.6 54.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.044 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -82.49 176.02 9.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.353 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.459 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.3 m-85 -50.88 -65.74 0.84 Allowed Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.082 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.9 Cg_endo -57.25 -45.38 35.49 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.527 2.151 . . . . 0.0 113.322 -178.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -48.37 -54.9 12.26 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.23 -47.07 87.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.09 0.471 . . . . 0.0 110.7 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -58.62 -27.46 64.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.742 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.7 m -87.2 -62.1 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.5 ptp -52.15 -18.55 1.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.775 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.7 ptm -87.71 -28.38 21.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.229 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.59 20.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.479 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -106.86 3.35 26.22 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -56.16 -44.97 79.82 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.563 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 67.3 mtt -86.18 -166.84 1.66 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.692 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 mptt . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.089 179.44 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.439 0 N-CA-C 109.526 -1.429 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 45.9 p -66.09 -33.26 75.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.798 0.332 . . . . 0.0 110.32 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.55 -50.61 4.26 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.62 -50.33 73.95 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.6 99.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.943 0.402 . . . . 0.0 110.909 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -41.93 98.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.781 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.6 t -57.32 -45.74 83.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.007 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -69.5 -45.41 68.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.954 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -61.82 -47.66 84.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.433 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.159 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.93 -45.79 87.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.956 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.39 -44.67 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.16 -45.62 87.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.65 78.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.693 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.63 77.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.174 0.511 . . . . 0.0 110.001 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -65.14 -40.95 95.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.663 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -52.72 -42.89 65.28 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.12 83.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.168 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -61.85 -47.42 85.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.503 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 49.5 tp -62.77 -46.38 88.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 4.1 mmt -69.1 -36.89 78.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.077 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.83 17.58 61.33 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 11.7 t -60.54 -43.5 97.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.026 0.441 . . . . 0.0 110.098 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.794 179.859 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -90.05 107.44 19.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.331 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -137.32 153.85 50.18 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.255 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' HG ' ' H ' ' A' ' 5' ' ' THR . 1.6 tp -70.02 174.82 4.95 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.484 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 5.1 t -173.64 172.64 3.55 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.603 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' N ' ' HG1' ' A' ' 5' ' ' THR . 77.8 tt0 -53.98 -55.2 29.36 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 121.56 0.695 . . . . 0.0 110.211 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.465 ' CA ' ' OE1' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -43.75 -57.94 2.96 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.545 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.677 HE22 ' NZ ' ' A' ' 75' ' ' LYS . 31.8 tp60 -43.65 -61.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.43 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.6 pt -53.14 -49.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.023 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.28 90.26 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.126 0.489 . . . . 0.0 109.928 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -56.87 -47.92 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.132 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.79 -39.91 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.375 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.15 -43.09 82.15 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.918 0.389 . . . . 0.0 110.189 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.41 -56.94 10.92 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.097 0.475 . . . . 0.0 109.882 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -54.62 -37.82 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.027 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -52.13 67.07 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.343 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.4 m -57.01 -30.2 63.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.629 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.6 mt -72.37 -44.64 62.26 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.807 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 52.0 m-85 -68.89 -55.1 12.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.658 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.486 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 31.8 t0 -55.66 85.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.503 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 19' ' ' PHE . 30.5 mmtt -64.11 -57.75 8.68 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.733 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 9.1 p30 -61.1 -18.02 55.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.962 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 64.29 44.58 95.28 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.822 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -92.75 -5.05 52.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.898 0.349 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 100.03 5.65 54.64 Favored Glycine 0 N--CA 1.466 0.674 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -138.43 172.19 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.222 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.4 mt -127.47 150.19 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.659 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 30' ' ' LYS . 6.1 t -143.48 178.4 7.79 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.005 0.431 . . . . 0.0 111.089 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.4 p -58.05 -44.1 87.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.968 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.413 ' H ' HG23 ' A' ' 28' ' ' THR . 59.7 mttp -65.15 -44.71 87.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.022 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 28' ' ' THR . 26.4 mt-10 -60.52 -62.28 1.98 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.966 0.413 . . . . 0.0 110.013 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.99 -48.45 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.821 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.79 -43.93 30.43 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.3 m -59.69 -50.53 73.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.7 t -59.22 -42.75 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.587 0.232 . . . . 0.0 111.02 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 39.2 mtp -66.65 -41.1 88.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.82 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' GLY . 52.0 ttt85 -68.77 -53.02 24.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.551 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.1 m -48.99 -31.71 7.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.745 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.0 mt -74.57 -16.8 60.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 102.86 21.18 10.48 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 112.146 -0.382 . . . . 0.0 112.146 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -80.15 117.74 21.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.073 0.463 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -37.91 152.8 0.14 Allowed Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.541 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -41.72 104.02 0.05 OUTLIER 'Trans proline' 0 N--CA 1.487 1.137 0 C-N-CA 122.263 1.975 . . . . 0.0 111.661 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 p -131.24 5.32 4.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.712 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -46.79 -24.75 0.62 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.402 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.95 -42.66 38.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.071 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -54.77 -46.19 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.487 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 7.5 mp -59.8 -55.36 35.21 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.949 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -45.68 -42.44 11.61 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -76.7 -43.03 39.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.395 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.0 mmt -63.63 -48.32 77.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.101 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.416 HG22 HD12 ' A' ' 52' ' ' ILE . 28.7 mt -63.55 -43.09 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 46.3 t-20 -50.79 -39.36 52.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.916 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -73.06 -51.84 16.57 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.694 0.283 . . . . 0.0 111.401 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 m -92.65 24.36 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' OD2' ' CA ' ' A' ' 59' ' ' GLY . 13.0 t70 -65.63 -32.72 74.44 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.088 0.47 . . . . 0.0 110.901 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.79 -65.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.7 t0 -73.03 -29.26 62.86 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.605 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.501 ' CA ' ' OD2' ' A' ' 56' ' ' ASP . . . 83.26 12.88 78.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.497 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 41.3 p30 -83.38 -16.78 44.62 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.876 0.37 . . . . 0.0 110.681 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.408 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 94.49 11.14 57.41 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.418 ' HG1' ' CG ' ' A' ' 60' ' ' ASN . 59.0 p -132.0 156.6 45.94 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.155 0.502 . . . . 0.0 111.176 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 HG23 HD12 ' A' ' 63' ' ' ILE . 26.0 mm -101.75 116.31 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.221 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -75.52 176.0 7.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.432 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 m-85 -51.28 -65.73 0.87 Allowed Pre-proline 0 C--O 1.239 0.552 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.295 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.8 Cg_endo -57.27 -47.19 23.49 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.56 2.174 . . . . 0.0 113.038 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -46.32 -52.18 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 30.2 t80 -61.91 -48.7 79.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.228 0.537 . . . . 0.0 110.387 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.06 -27.11 30.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.476 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 m -85.37 -70.83 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.964 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.6 ptp -51.84 -17.46 0.96 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.391 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.478 ' C ' ' SD ' ' A' ' 72' ' ' MET . 2.9 ppp? -90.45 -31.31 16.86 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.892 0.377 . . . . 0.0 111.583 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.82 1.35 17.62 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.315 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.64 -63.74 1.17 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.476 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.677 ' NZ ' HE22 ' A' ' 8' ' ' GLN . 62.1 mttp 57.75 -166.39 0.15 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.197 0.522 . . . . 0.0 111.274 179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 98.9 mmm -122.37 -80.76 0.63 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.404 0.621 . . . . 0.0 110.14 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.1 pttm . . . . . 0 C--N 1.322 -0.63 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.078 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.507 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 76.8 p 39.67 88.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.567 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.86 -116.51 5.37 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . 34.66 -101.99 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.2 97.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.951 0.405 . . . . 0.0 111.184 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.9 -40.01 95.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.25 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -59.68 -48.09 83.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.481 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -72.22 -46.46 56.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.437 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -60.33 -49.22 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.417 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.53 91.48 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.763 0.316 . . . . 0.0 111.178 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.9 96.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.957 0.408 . . . . 0.0 110.793 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.89 -43.85 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -61.03 -49.2 78.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.746 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.45 86.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.91 99.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.13 0.49 . . . . 0.0 109.985 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -66.29 -39.16 89.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.101 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -62.4 -41.66 98.84 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.07 -47.76 83.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.323 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -65.67 -35.69 81.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.539 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.05 -44.93 96.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.26 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 79.0 mtm -66.8 -36.58 82.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.978 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.53 5.47 61.65 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 7.7 m -70.2 146.17 50.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.913 0.357 . . . . 0.0 110.553 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.22 -179.847 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -84.64 13.56 5.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.146 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -137.58 -178.64 5.33 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.507 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 tp 37.33 78.83 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.21 0.528 . . . . 0.0 111.875 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 7' ' ' GLU . 11.5 t -77.8 -171.48 2.26 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.253 -178.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -61.49 -45.31 94.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.2 0.524 . . . . 0.0 110.568 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.441 ' H ' HG22 ' A' ' 5' ' ' THR . 75.1 tt0 -45.66 -62.03 1.46 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.23 -58.66 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -177.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.5 pt -56.92 -50.87 74.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.688 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.13 77.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.176 0.512 . . . . 0.0 109.891 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -61.89 -45.67 92.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.085 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -44.3 91.22 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.562 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -57.2 -44.51 83.74 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.393 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.82 -56.48 17.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -54.24 -47.31 72.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.284 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -55.94 -51.83 66.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.528 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 5.9 t -57.29 -36.14 70.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.66 -42.74 95.2 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.445 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 21' ' ' LYS . 61.9 m-85 -69.76 -51.64 32.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.871 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 35.4 t0 -61.07 76.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.54 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.0 mmmt -60.36 -52.66 64.29 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.314 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 22.6 p-10 -63.42 -17.24 62.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.992 0.425 . . . . 0.0 109.895 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 61.43 43.42 99.36 Favored Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.827 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -91.64 -3.23 56.59 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 117.008 0.404 . . . . 0.0 110.971 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . . . 99.9 6.89 53.81 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -144.41 173.33 11.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -121.37 139.08 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 29' ' ' THR . 86.0 m -119.24 168.24 11.08 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.016 0.436 . . . . 0.0 111.075 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.476 ' N ' ' CG2' ' A' ' 28' ' ' THR . 69.1 p -60.36 -43.11 96.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.556 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.425 ' O ' ' OG1' ' A' ' 34' ' ' THR . 57.8 mttp -68.62 -41.87 78.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.762 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -57.85 -59.09 5.77 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 tp -62.63 -48.4 79.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.797 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.55 -43.74 36.7 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 19.6 m -61.37 -46.5 89.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.8 t -61.81 -37.77 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.013 0.435 . . . . 0.0 110.759 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.3 mtp -65.92 -50.57 63.97 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.434 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -66.2 -47.82 72.64 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.182 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.2 p -51.12 -27.38 8.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.2 mt -82.01 -12.32 58.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.233 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 16.41 42.73 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -80.73 132.43 35.55 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.97 0.414 . . . . 0.0 110.939 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -38.62 155.77 0.12 Allowed Pre-proline 0 N--CA 1.467 0.411 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.234 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.56 117.26 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.506 2.138 . . . . 0.0 111.585 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 t -150.79 11.67 0.67 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.356 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -55.46 -20.21 11.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.217 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.23 -42.31 55.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.224 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -57.33 -48.85 77.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.012 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' N ' ' CD2' ' A' ' 48' ' ' LEU . 4.3 mm? -60.29 -51.02 71.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.682 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -45.84 -40.93 10.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.418 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -71.6 -39.84 70.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.992 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.4 mtm -68.66 -45.29 72.13 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.77 0.319 . . . . 0.0 111.225 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.429 HG21 HD12 ' A' ' 52' ' ' ILE . 75.3 mt -62.27 -42.66 96.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.437 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 33.4 t-20 -50.41 -26.38 4.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.683 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -98.15 -38.94 9.12 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.53 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.9 t -62.45 -44.58 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.629 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 10.2 t70 -47.91 129.18 14.32 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.856 0.36 . . . . 0.0 110.664 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.33 -42.06 60.06 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.026 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -95.67 1.63 53.63 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.459 0.171 . . . . 0.0 111.155 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.546 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 71.16 25.64 75.23 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -74.63 -22.18 59.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.966 0.412 . . . . 0.0 110.554 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.9 20.62 49.61 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.6 p -131.74 153.11 50.4 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.811 0.339 . . . . 0.0 110.792 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.433 HG21 HD13 ' A' ' 63' ' ' ILE . 26.4 mm -105.94 120.36 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.363 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -78.5 172.2 14.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.203 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.542 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -54.43 -52.33 70.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.352 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 21.3 Cg_endo -59.37 -51.71 5.96 Favored 'Trans proline' 0 N--CA 1.503 2.03 0 C-N-CA 122.359 2.04 . . . . 0.0 113.352 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -48.79 -50.35 34.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 31.6 t80 -61.3 -49.33 77.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.185 0.516 . . . . 0.0 110.71 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tt -53.6 -27.48 26.95 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.34 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.7 m -82.62 -70.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.711 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.593 ' SD ' ' NE1' ' B' ' 52' ' ' TRP . 6.7 ptp -50.88 -18.61 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.593 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 72' ' ' MET . 2.7 ppp? -90.61 -32.16 16.37 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.807 0.336 . . . . 0.0 111.668 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.581 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -60.3 -36.53 78.09 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.484 -178.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 75' ' ' LYS . 9.3 ptm180 -63.46 6.81 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.682 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.581 ' H ' ' C ' ' A' ' 73' ' ' ALA . 88.8 tttt -32.66 151.33 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.421 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -48.46 138.9 9.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.72 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 117.959 -1.02 . . . . 0.0 109.981 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 18.2 p -80.45 166.47 21.2 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.83 0.347 . . . . 0.0 110.376 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.99 72.29 0.46 Allowed Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.54 91.73 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.56 97.9 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 111.041 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.11 -40.78 98.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.145 0.497 . . . . 0.0 110.124 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 66.2 m -60.71 -45.37 94.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.244 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . 0.593 ' NE1' ' SD ' ' A' ' 71' ' ' MET . 19.5 m95 -70.26 -51.01 33.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.85 -45.63 88.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.444 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.07 92.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.026 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.01 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.53 -43.58 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.67 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.74 -45.64 93.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.795 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.79 88.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.483 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.83 94.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.122 0.487 . . . . 0.0 109.989 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -63.25 -44.3 95.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.598 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -61.27 -39.95 92.28 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.94 -47.22 87.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.368 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -64.6 -40.78 96.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.309 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.32 -40.68 97.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.413 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 38.6 tpp -64.81 -24.18 67.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.876 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.53 15.23 57.27 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 25.4 p -73.45 162.5 29.21 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.655 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.599 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -126.76 98.76 5.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.805 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -153.6 158.08 40.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.514 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 5' ' ' THR . 1.2 tp 48.03 -170.93 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 6' ' ' GLU . 90.7 m -168.48 164.46 12.62 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.591 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.441 ' N ' ' CG2' ' A' ' 5' ' ' THR . 42.9 tp10 -50.81 -55.52 16.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.261 0.553 . . . . 0.0 110.484 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.533 ' CG ' ' H ' ' A' ' 8' ' ' GLN . 13.9 pt-20 -44.41 -55.93 4.63 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.996 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.533 ' H ' ' CG ' ' A' ' 7' ' ' GLU . 96.0 mm-40 -43.07 -58.18 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.6 pt -57.87 -47.96 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.476 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -55.88 -48.3 75.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.989 -0.444 . . . . 0.0 110.014 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -53.4 -43.36 67.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.32 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.58 -44.24 96.8 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 110.294 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -65.63 -37.88 87.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.449 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.11 -56.33 13.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.422 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.55 -44.29 72.76 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.088 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.626 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -57.1 -51.74 68.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.713 179.333 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.549 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 54.5 m -54.01 -34.82 60.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.393 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.0 mt -66.73 -42.89 85.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 -179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.545 ' O ' ' N ' ' A' ' 21' ' ' LYS . 47.2 m-85 -73.92 -47.45 37.68 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.964 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 61.2 t0 -61.81 69.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.094 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.8 mmmt -56.18 -47.76 77.69 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.229 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.7 -18.37 59.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.11 38.56 61.35 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.782 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -92.74 -12.38 31.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 117.02 0.41 . . . . 0.0 111.234 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.64 1.26 23.03 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.7 p -142.52 154.58 44.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.308 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.41 HG21 HD11 ' A' ' 27' ' ' ILE . 97.2 mt -99.63 126.8 52.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.468 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 61.9 m -108.15 163.18 13.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.025 0.44 . . . . 0.0 111.068 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 p -58.0 -38.24 75.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.62 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' H ' HG22 ' A' ' 28' ' ' THR . 54.4 mtpt -72.59 -35.58 67.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.587 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 28' ' ' THR . 49.8 mt-10 -63.8 -64.41 0.9 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.194 0.521 . . . . 0.0 110.447 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.19 -38.52 89.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.79 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.551 ' N ' ' CD2' ' A' ' 32' ' ' LEU . . . -58.51 -42.4 95.91 Favored Glycine 0 C--N 1.329 0.167 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.9 m -60.23 -45.58 92.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.4 t -59.11 -34.86 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 120.927 0.394 . . . . 0.0 110.719 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.461 ' SD ' ' OE1' ' A' ' 41' ' ' GLN . 38.5 mmt -66.77 -41.05 88.35 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.228 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -48.98 52.6 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.61 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.6 m -52.2 -25.37 9.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.589 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.1 mt -81.32 -16.95 50.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.79 27.35 9.69 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' OE1' ' SD ' ' A' ' 36' ' ' MET . 88.3 mt-30 -89.96 123.15 33.63 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.09 0.472 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.541 ' ND2' ' H ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -37.34 154.79 0.1 OUTLIER Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.507 -178.755 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.39 132.91 41.5 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.921 1.747 . . . . 0.0 111.965 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.0 t -169.82 25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.338 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.4 -15.76 12.01 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.503 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.34 -40.66 26.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.341 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -61.57 -42.17 98.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.626 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 5.5 mp -64.0 -53.04 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.985 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -49.39 -36.27 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.14 -43.97 77.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.21 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 56.4 mtt -62.19 -50.4 71.95 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.048 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.433 HG21 HD12 ' A' ' 52' ' ' ILE . 90.2 mt -64.89 -42.86 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.382 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -50.68 -31.4 16.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.736 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -101.0 -41.31 6.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.406 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.1 t -65.56 -43.31 94.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 67.5 t0 -41.07 134.35 2.05 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.963 0.411 . . . . 0.0 110.83 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . -69.82 -44.95 68.94 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.299 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -97.31 3.97 51.01 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.534 0.207 . . . . 0.0 111.365 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.84 24.55 62.66 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.529 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 8.3 m120 -73.3 -22.02 60.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 0.0 110.452 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.71 -0.19 30.55 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 p -132.96 167.76 19.68 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.049 0.452 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.8 mt -111.7 134.92 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.221 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -87.38 174.5 8.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.734 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.626 ' CZ ' ' CZ ' ' A' ' 16' ' ' PHE . 4.4 m-85 -54.68 -66.19 1.04 Allowed Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.039 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 18.9 Cg_endo -56.23 -46.23 32.17 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.555 2.17 . . . . 0.0 113.017 -177.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -48.09 -50.33 28.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.14 -47.48 86.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.177 0.513 . . . . 0.0 110.282 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -54.0 -27.63 32.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.658 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 72' ' ' MET . 36.3 m -86.16 -69.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.06 0.457 . . . . 0.0 111.975 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 ptp -47.11 -17.13 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.71 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.412 ' H ' ' C ' ' A' ' 70' ' ' THR . 3.0 ppp? -88.94 -26.71 21.39 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.358 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.89 22.83 0.73 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.46 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -92.0 4.93 51.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.03 0.443 . . . . 0.0 110.504 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -138.93 144.61 39.13 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.584 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 95.5 mtp -115.03 -31.16 6.14 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.957 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.29 179.86 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 43.3 p -135.24 155.5 50.55 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.037 0.446 . . . . 0.0 110.222 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' B' ' 50' ' ' LEU . . . 55.14 -148.25 25.0 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . 31.37 -104.54 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.96 90.15 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 111.26 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' B' ' 47' ' ' GLY . 55.5 tp -62.91 -41.93 99.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.229 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.6 t -60.58 -45.71 92.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.339 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -68.48 -43.04 77.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.616 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.92 -50.12 74.7 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.35 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.77 85.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.694 0.283 . . . . 0.0 110.976 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.17 -45.84 91.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.983 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.28 -43.71 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.392 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.46 -45.71 93.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.75 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.79 -40.39 79.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.37 96.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.161 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.64 -42.25 98.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.861 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -64.87 -40.44 95.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.42 85.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.583 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.69 -46.93 85.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.424 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 53.0 tp -63.06 -43.54 98.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.033 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 58.8 mmm -66.12 -38.2 87.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.899 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.29 2.46 87.49 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.801 -0.52 . . . . 0.0 111.801 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 10.3 p -157.28 163.64 38.51 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.939 0.399 . . . . 0.0 110.73 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.355 179.859 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 39.8 p-10 -90.15 5.78 45.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.947 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -134.17 162.39 32.28 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.464 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 5' ' ' THR . 6.1 tt -83.06 164.77 20.1 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.25 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.421 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 1.8 t -172.59 174.89 3.62 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.59 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -51.02 -55.15 18.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.159 0.504 . . . . 0.0 109.783 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.424 ' OE2' ' OE1' ' A' ' 11' ' ' GLU . 45.4 tp10 -44.43 -53.45 6.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.637 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -45.0 -59.75 2.42 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.411 HG13 ' H ' ' A' ' 10' ' ' ALA . 10.2 pt -55.75 -47.77 78.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.509 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.23 -35.16 78.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.114 0.483 . . . . 0.0 109.995 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' OE1' ' OE2' ' A' ' 7' ' ' GLU . 32.7 tp10 -58.81 -47.76 83.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.137 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.44 -41.57 96.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.303 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -57.94 -47.23 83.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.33 -55.21 37.9 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.488 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.89 -42.48 76.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.93 0.395 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.03 -51.03 71.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.6 m -56.92 -34.77 68.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.172 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.31 -43.48 86.14 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.194 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' LYS . 63.8 m-85 -68.35 -49.16 62.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.853 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 40.5 t0 -63.28 79.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.405 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PHE . 23.1 mmmt -62.17 -52.95 61.74 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.535 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 23.9 p-10 -63.62 -17.03 62.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.048 0.451 . . . . 0.0 109.821 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.92 42.65 99.75 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.991 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -93.42 -2.35 54.72 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.216 0.508 . . . . 0.0 111.149 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.99 8.81 53.55 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 2.0 p -143.54 164.82 29.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.131 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.8 mt -115.51 137.22 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' A' ' 29' ' ' THR . 80.0 m -118.95 168.84 10.41 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.029 0.443 . . . . 0.0 111.14 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.472 ' N ' ' CG2' ' A' ' 28' ' ' THR . 62.2 p -61.67 -44.59 96.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -66.73 -42.3 86.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.772 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 90.9 mt-10 -57.52 -57.07 14.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.025 0.44 . . . . 0.0 109.86 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.57 -45.82 92.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.561 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.84 -43.46 48.07 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -59.86 -47.35 86.09 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.25 -37.02 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.045 0.45 . . . . 0.0 110.523 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mtp -66.56 -40.18 88.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.209 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.61 -51.12 37.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.409 . . . . 0.0 110.736 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 t -53.11 -23.99 9.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.7 mt -83.86 -19.65 34.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.997 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.5 21.8 55.48 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.039 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -108.93 145.61 35.14 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.424 -0.456 . . . . 0.0 110.652 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.464 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.6 OUTLIER -36.02 100.45 0.2 Allowed Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.131 -179.388 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -80.6 -95.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.272 1.982 . . . . 0.0 112.149 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m 68.17 111.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.063 0.458 . . . . 0.0 110.529 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 46' ' ' ALA . 1.3 pt-20 -68.41 -53.31 24.58 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.327 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -38.88 -46.27 1.28 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.127 0.489 . . . . 0.0 109.724 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.05 -55.72 31.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.816 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.02 -52.59 64.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.647 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -46.86 -29.98 2.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.171 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -80.9 -42.81 20.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.153 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.9 mmt -66.98 -44.75 79.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.773 0.32 . . . . 0.0 111.013 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.453 HG21 HD12 ' A' ' 52' ' ' ILE . 29.1 mt -65.38 -43.99 94.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.21 -39.93 88.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.73 -40.39 92.12 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.58 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.4 m -98.6 22.46 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 5.4 t70 -87.78 112.12 22.09 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.895 0.379 . . . . 0.0 110.075 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.75 64.63 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -92.46 -5.71 51.34 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.653 0.263 . . . . 0.0 111.67 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.588 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 73.64 19.65 79.73 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -76.13 -21.42 56.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.997 0.427 . . . . 0.0 110.585 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 88.12 19.87 51.54 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.9 p -132.82 153.52 51.21 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.717 0.294 . . . . 0.0 110.699 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.6 mm -108.01 117.7 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -86.09 -177.24 6.23 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.045 0.45 . . . . 0.0 111.226 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.558 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -59.24 -43.24 96.49 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.017 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 9.0 Cg_exo -67.79 -54.82 0.31 Allowed 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 123.065 2.51 . . . . 0.0 113.073 -177.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -52.34 -45.17 65.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.889 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -63.33 -48.35 78.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.248 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 1.6 tm? -54.82 -36.09 64.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.058 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m -78.75 -70.14 0.52 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 112.935 0.716 . . . . 0.0 112.935 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.7 ptp -50.66 -19.9 1.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.9 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -88.59 -27.49 21.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.071 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -37.1 76.07 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.578 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.7 mmm-85 -53.96 -62.97 1.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.294 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt 39.48 37.56 0.3 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.238 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 28.1 ttt -43.2 -93.48 0.0 OUTLIER 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.756 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.411 ' O ' ' OE1' ' B' ' 53' ' ' GLN . 78.2 tttt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.228 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 99.1 m -62.72 -44.7 95.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.314 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.46 -23.15 6.44 Favored Glycine 0 N--CA 1.469 0.845 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.71 -54.61 45.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.51 94.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.841 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -41.08 98.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.672 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 38.8 t -58.68 -46.65 86.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.243 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -67.59 -46.11 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.754 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.411 ' OE1' ' O ' ' A' ' 77' ' ' LYS . 57.4 tt0 -64.12 -46.57 83.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.56 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.0 93.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.688 0.28 . . . . 0.0 111.096 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.45 92.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.03 -44.57 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.671 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.39 -50.22 72.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.79 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.01 -37.51 81.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.17 81.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.189 0.519 . . . . 0.0 110.055 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -65.03 -40.15 94.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.544 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -53.66 -43.98 69.28 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.32 86.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.062 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -62.17 -47.31 85.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.5 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.12 -46.95 84.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 3.2 mmt -68.24 -36.99 80.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.27 6.57 55.38 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.791 -0.524 . . . . 0.0 111.791 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m 60.83 89.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.008 0.432 . . . . 0.0 110.723 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.83 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 3' ' ' GLN . 64.9 t0 -68.07 133.18 48.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.164 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.44 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 18.4 pt20 -69.94 160.89 31.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.568 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' HG ' ' H ' ' A' ' 5' ' ' THR . 1.8 tp -63.56 175.9 0.97 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.777 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.431 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 4.0 t -179.2 179.55 0.64 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.399 0.437 . . . . 0.0 110.551 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -57.39 -48.89 77.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.276 0.56 . . . . 0.0 110.045 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -46.06 -61.02 1.93 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.938 0.399 . . . . 0.0 110.481 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -44.25 -58.15 3.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.417 -177.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 pt -58.45 -50.06 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.777 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.62 -33.25 69.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.263 0.554 . . . . 0.0 109.76 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.532 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 17.2 tp10 -65.16 -41.91 94.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.131 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -66.79 -40.56 88.18 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.877 0.37 . . . . 0.0 110.494 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -62.9 -44.64 95.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.473 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.02 -56.32 23.79 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.316 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.32 -45.61 69.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.056 0.455 . . . . 0.0 110.076 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -56.01 -51.84 66.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.831 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -53.77 -35.17 61.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.197 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.49 -42.9 86.72 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.313 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' LYS . 68.7 m-85 -73.7 -46.06 48.49 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.688 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 41.8 t0 -65.32 71.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.62 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -58.99 -50.31 74.55 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.389 -179.208 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 18.7 p-10 -62.51 -18.51 62.1 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.46 41.18 95.19 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.087 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -93.01 -4.7 52.13 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 117.063 0.432 . . . . 0.0 111.128 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.72 3.22 40.11 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -143.19 165.87 26.24 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.3 mt -110.34 130.24 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.2 m -108.79 162.55 14.08 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.199 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.2 p -59.4 -43.01 93.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.363 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.48 -41.14 89.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 66.5 mt-10 -58.17 -55.16 38.6 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.78 -47.28 86.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.597 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.84 -43.26 38.87 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.5 m -60.1 -48.07 83.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.75 -41.39 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-O 120.869 0.366 . . . . 0.0 110.68 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.3 mmm -65.95 -41.66 90.97 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.546 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' GLY . 4.7 tmt_? -74.39 -50.73 17.39 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.053 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.3 m -51.57 -22.11 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.449 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.6 mt -90.67 -16.89 27.75 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.901 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 99.34 19.48 20.77 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.511 -0.376 . . . . 0.0 112.188 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -75.65 150.42 37.96 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.509 -0.407 . . . . 0.0 110.697 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -38.02 146.04 0.3 Allowed Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.591 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.538 ' O ' ' OG1' ' A' ' 44' ' ' THR . 53.9 Cg_endo -71.13 -161.66 0.09 OUTLIER 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.491 2.127 . . . . 0.0 111.226 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.538 ' OG1' ' O ' ' A' ' 43' ' ' PRO . 3.0 p 79.88 105.12 0.07 Allowed 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.859 0.725 . . . . 0.0 111.192 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 48' ' ' LEU . 77.6 tt0 -84.42 -51.62 6.8 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.219 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -37.51 -31.31 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.506 0.669 . . . . 0.0 109.336 -178.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' GLU . 68.6 mt-10 -60.02 -55.22 36.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.792 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 45' ' ' GLU . 8.1 mp -59.8 -51.16 70.92 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -51.82 -25.67 8.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.536 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -80.43 -43.51 20.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.176 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.9 mmt -61.96 -45.84 91.88 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.838 0.351 . . . . 0.0 110.728 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.423 HG22 HD12 ' A' ' 52' ' ' ILE . 81.4 mt -65.86 -42.67 92.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.356 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 29.7 t30 -47.53 -35.94 9.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.037 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -73.33 -42.64 62.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.438 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.2 m -96.7 19.2 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 46.1 p-10 -79.81 112.99 17.62 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.092 0.472 . . . . 0.0 110.495 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.79 -65.02 0.74 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.83 -0.97 57.84 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.76 23.62 77.7 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -82.17 -11.75 58.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.432 -0.384 . . . . 0.0 110.54 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.92 9.65 58.24 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.3 p -130.25 162.2 29.5 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.045 0.45 . . . . 0.0 110.603 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.9 mt -107.96 132.79 54.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.164 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -82.0 167.57 18.73 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.584 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' A' ' 16' ' ' PHE . 9.0 m-85 -50.1 -65.3 0.9 Allowed Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.979 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.7 Cg_endo -58.11 -43.98 43.19 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.481 2.121 . . . . 0.0 113.16 -177.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -47.81 -52.59 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -60.75 -46.58 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.3 0.571 . . . . 0.0 110.169 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.74 -26.89 47.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.811 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.9 m -88.19 -69.89 0.67 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.9 ptp -47.98 -17.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.652 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.8 ptm -84.54 -27.2 27.5 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.018 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.78 -66.99 0.72 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -57.28 -16.87 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.159 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.495 ' NZ ' ' OE1' ' B' ' 53' ' ' GLN . 64.1 tttp 54.64 -90.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.125 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.0 tpp -79.54 -148.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.597 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.146 179.808 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.6 m -62.85 131.47 48.91 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.826 0.346 . . . . 0.0 110.264 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.03 -14.95 63.63 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.42 81.7 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.21 -46.86 85.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.927 0.394 . . . . 0.0 111.063 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.52 -41.52 98.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.479 0.657 . . . . 0.0 109.852 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 51.1 m -57.45 -44.18 84.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.233 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -64.88 -38.94 92.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.584 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.495 ' OE1' ' NZ ' ' A' ' 75' ' ' LYS . 58.6 tt0 -62.1 -46.15 90.34 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.379 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.99 87.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.674 0.273 . . . . 0.0 111.174 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.29 95.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 110.746 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.401 HD13 HG21 ' B' ' 56' ' ' ILE . 96.3 mt -65.34 -44.35 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.574 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.62 -49.86 71.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.73 88.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.57 96.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.929 0.395 . . . . 0.0 110.097 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.532 ' NH2' ' OE2' ' A' ' 11' ' ' GLU . 19.5 mmt85 -64.82 -41.11 96.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.808 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -65.73 -41.69 91.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.756 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.86 -46.24 79.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.437 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.1 -46.88 82.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.92 -47.53 82.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 76.5 mtp -67.52 -37.85 83.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.222 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.61 -8.76 76.67 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.0 p -78.83 163.38 25.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.875 0.369 . . . . 0.0 110.813 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.712 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 29.3 p-10 -81.11 -1.97 46.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.389 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -135.47 175.92 9.15 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.402 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.405 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 4.2 mm? -59.59 -161.58 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.714 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.4 m -163.67 159.65 21.83 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -49.77 -58.81 4.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.316 0.579 . . . . 0.0 110.811 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.65 -58.48 3.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.395 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -46.8 -62.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.5 pt -55.0 -50.17 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.646 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.49 85.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.078 0.466 . . . . 0.0 110.226 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.34 -49.17 78.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.19 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -42.89 99.77 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.518 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -45.99 91.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.752 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.43 ' OE1' ' NZ ' ' B' ' 63' ' ' LYS . 72.5 mm-40 -63.63 -56.73 13.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.526 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.93 -36.28 67.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.097 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.419 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -58.3 -53.15 61.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.581 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -67.78 -20.57 65.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.551 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 mt -74.79 -45.59 42.6 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.929 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' LYS . 18.3 m-85 -74.45 -54.32 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.724 -178.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -52.35 86.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.481 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' PHE . 19.8 mmtp -61.07 -54.28 46.65 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.29 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.71 -17.7 61.21 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.42 44.45 93.61 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.66 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' OG1' ' A' ' 26' ' ' THR . 47.1 p-10 -96.91 -5.25 38.5 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.961 0.381 . . . . 0.0 111.301 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.96 15.1 24.95 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.424 ' OG1' ' OD1' ' A' ' 24' ' ' ASP . 2.9 p -142.82 149.42 38.57 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.0 mt -107.94 146.8 13.49 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.043 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.442 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 62.0 m -136.13 167.45 21.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 111.306 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.545 ' HG1' ' N ' ' A' ' 30' ' ' LYS . 52.4 p -60.3 -36.99 79.16 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.179 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.545 ' N ' ' HG1' ' A' ' 29' ' ' THR . 98.5 mttt -72.32 -42.1 65.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.709 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 28' ' ' THR . 56.4 mt-10 -60.77 -61.54 2.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 109.766 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.86 -46.29 85.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.28 -39.86 44.07 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 92.6 m -60.73 -49.18 78.54 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.66 -42.35 91.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.075 0.464 . . . . 0.0 110.626 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.0 mtp -66.27 -43.33 86.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.421 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 40' ' ' GLY . 14.2 tpt180 -65.11 -51.32 62.01 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.202 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.1 t -49.43 -30.88 8.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.186 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 mt -80.1 -19.6 47.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 64.35 27.18 71.29 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -102.44 -40.07 6.86 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.78 0.324 . . . . 0.0 110.692 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -136.01 81.25 39.7 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.516 ' O ' ' N ' ' A' ' 45' ' ' GLU . 42.5 Cg_endo -72.25 -21.39 23.41 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 122.625 2.216 . . . . 0.0 111.93 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.448 ' C ' ' H ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -61.57 71.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.351 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 43' ' ' PRO . 62.6 tt0 -56.95 -10.36 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.277 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.448 ' H ' ' C ' ' A' ' 44' ' ' THR . . . -74.56 -41.34 60.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.775 178.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -55.1 -46.49 75.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.46 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.493 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -63.27 -52.2 63.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.938 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.468 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 77.6 mt-30 -43.87 -42.62 5.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.411 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -70.62 -39.7 73.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.037 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.1 mmt -65.29 -46.11 81.7 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.754 0.312 . . . . 0.0 111.138 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.5 mt -64.74 -43.19 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 49' ' ' GLN . 74.9 m-20 -62.0 -40.0 94.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.739 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.27 -45.08 85.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.409 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.5 m -90.08 19.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.37 108.2 17.07 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.199 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.43 -40.49 21.12 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.896 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -86.63 -21.21 26.89 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.664 0.269 . . . . 0.0 111.401 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.04 23.36 59.44 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -83.65 -17.83 40.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.881 0.372 . . . . 0.0 110.565 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.22 10.18 75.03 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -133.72 162.32 32.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.717 0.294 . . . . 0.0 110.993 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 mm -105.12 111.06 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.815 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.91 -168.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.159 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -65.15 -63.92 3.1 Favored Pre-proline 0 C--O 1.247 0.936 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.508 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.669 ' O ' ' N ' ' A' ' 70' ' ' THR . 19.2 Cg_endo -57.47 -50.03 11.98 Favored 'Trans proline' 0 C--O 1.195 -1.661 0 C-N-CA 122.154 1.902 . . . . 0.0 112.545 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' PRO . 80.8 mm-40 -39.11 -54.13 1.76 Allowed 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.152 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -63.42 -64.45 0.9 Allowed 'General case' 0 C--O 1.258 1.513 0 CA-C-O 122.03 0.919 . . . . 0.0 111.013 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 2.0 tt -58.08 -37.35 74.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.454 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.669 ' N ' ' O ' ' A' ' 66' ' ' PRO . 25.8 m -47.55 -70.08 0.11 Allowed 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.316 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.68 ' HG3' ' H ' ' A' ' 72' ' ' MET . 3.4 ptp -49.41 -70.2 0.09 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 118.885 -1.126 . . . . 0.0 110.258 -178.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.68 ' H ' ' HG3' ' A' ' 71' ' ' MET . 19.6 ptm -45.38 -22.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.423 0.63 . . . . 0.0 109.618 -177.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 71' ' ' MET . . . -120.87 72.68 0.98 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.044 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -106.77 6.33 29.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.811 0.339 . . . . 0.0 110.831 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -63.06 -42.76 99.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.5 mtt -67.33 -46.31 73.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.1 0.476 . . . . 0.0 110.423 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.858 -1.067 . . . . 0.0 109.92 -179.728 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 65.7 p -83.95 165.65 18.47 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.737 0.303 . . . . 0.0 110.364 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.03 -1.01 0.43 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.59 -48.23 82.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.87 88.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 0.0 111.167 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.56 -44.33 96.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.261 0.553 . . . . 0.0 109.785 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.2 t -60.43 -46.0 91.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.578 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -63.75 -45.75 88.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.69 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.15 -43.63 92.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.419 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.59 95.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 111.357 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.17 -41.47 90.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.8 -43.68 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.658 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.63 -44.9 96.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.776 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.34 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.597 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.48 -39.51 93.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.094 0.473 . . . . 0.0 110.055 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 tpp85 -61.29 -44.7 96.79 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.615 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.81 -41.01 99.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.249 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.43 ' NZ ' ' OE1' ' A' ' 14' ' ' GLU . 88.5 tttt -64.01 -45.17 90.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.495 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 66.4 mt -63.23 -40.66 98.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.887 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.02 -37.27 85.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.838 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.79 13.18 63.06 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 47.8 t -67.41 143.55 56.23 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.581 -0.364 . . . . 0.0 110.654 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.318 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' O ' ' NE2' ' A' ' 3' ' ' GLN . . . . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -86.82 99.98 12.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.358 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 24.2 mp0 -66.09 173.32 3.14 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp 69.5 -177.59 0.21 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 8' ' ' GLN . 6.0 t -173.55 171.85 3.79 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.537 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 39.8 tp10 -55.89 -51.57 67.14 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.154 0.502 . . . . 0.0 110.022 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -45.12 -58.89 2.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.608 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.417 ' H ' HG22 ' A' ' 5' ' ' THR . 26.5 tp60 -42.65 -59.1 2.04 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.7 pt -57.09 -49.24 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 119.93 -0.708 . . . . 0.0 111.101 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.96 87.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -57.5 -47.12 82.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.039 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.32 -43.23 99.31 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.785 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -56.43 -44.5 80.49 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.519 ' OE1' ' NH1' ' B' ' 60' ' ' ARG . 96.6 mt-10 -59.57 -55.11 38.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.071 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.521 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -59.26 -40.85 87.31 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.236 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -50.89 72.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.473 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 t -57.51 -34.94 69.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.306 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.65 -43.06 85.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 21' ' ' LYS . 53.8 m-85 -71.23 -51.74 22.92 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.551 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 27.7 t0 -55.15 82.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.649 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.0 mmmt -65.05 -55.35 19.39 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.534 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 22.3 p-10 -61.67 -18.54 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.318 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 63.09 41.02 99.89 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.067 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 26' ' ' THR . 29.6 p-10 -92.83 -6.45 48.81 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.011 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.46 6.88 43.76 Favored Glycine 0 N--CA 1.468 0.773 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.424 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 2.1 p -142.48 167.72 21.42 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.8 mt -118.16 137.6 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 29' ' ' THR . 80.2 m -116.72 168.58 10.08 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.015 0.436 . . . . 0.0 111.026 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.476 ' N ' ' CG2' ' A' ' 28' ' ' THR . 81.6 p -61.49 -41.01 96.63 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.594 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -71.58 -38.88 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.703 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 86.5 mt-10 -60.15 -58.24 9.4 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.266 0.555 . . . . 0.0 109.872 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -60.54 -46.11 91.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.541 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -40.28 39.99 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 m -61.04 -50.41 73.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.45 -39.84 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.189 0.518 . . . . 0.0 110.844 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 54.4 mtp -69.15 -41.33 77.42 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.003 0.43 . . . . 0.0 111.445 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -70.78 -51.05 29.48 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.447 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.0 m -52.51 -22.46 4.88 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.8 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.8 mt -90.35 -15.7 30.61 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.144 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.77 12.23 57.0 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.458 -0.401 . . . . 0.0 112.139 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -90.33 168.64 11.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.933 0.366 . . . . 0.0 110.69 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -35.03 98.45 0.15 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.387 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -81.05 19.41 1.16 Allowed 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.486 2.124 . . . . 0.0 111.642 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 46' ' ' ALA . 15.8 p -65.08 85.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -54.62 -12.96 0.84 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.333 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 44' ' ' THR . . . -84.21 -40.26 18.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.227 178.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.02 -45.26 93.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.392 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.532 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 6.6 mp -63.91 -54.32 36.56 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.902 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -49.6 -35.22 20.16 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.616 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -79.9 -43.83 21.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.2 mmt -62.45 -45.26 93.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.69 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.4 mt -64.18 -41.67 93.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -54.87 -39.5 68.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.687 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.72 -42.75 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.407 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.59 34.45 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.2 p30 -80.02 -151.96 0.07 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.973 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.11 -75.11 0.08 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.388 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -92.0 0.56 57.47 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.133 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.3 15.46 76.53 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -72.44 -14.91 61.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 110.586 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.28 16.14 80.01 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -129.39 159.27 36.75 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.089 0.471 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.41 HG23 HD13 ' A' ' 63' ' ' ILE . 33.9 mm -103.53 123.24 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.421 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -84.0 176.01 9.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.438 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 m-85 -51.56 -65.46 0.96 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.013 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.9 Cg_endo -59.09 -43.65 40.71 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.465 2.11 . . . . 0.0 112.692 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -50.09 -50.43 48.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -61.42 -48.61 80.39 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.509 0.671 . . . . 0.0 110.593 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.94 -24.77 40.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.427 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.9 m -90.76 -60.7 1.85 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.605 ' SD ' ' CE2' ' B' ' 52' ' ' TRP . 6.8 ptp -48.02 -18.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.191 -178.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.5 ptt? -83.91 -23.91 30.98 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.538 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.647 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -98.19 29.25 3.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.51 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.8 mmm-85 -54.64 2.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.886 0.374 . . . . 0.0 111.244 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.647 ' H ' ' C ' ' A' ' 73' ' ' ALA . 99.2 mttt -66.73 -175.8 0.43 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.613 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.8 mtm -89.22 152.49 21.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.475 -179.79 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 58.6 m -73.65 163.29 28.2 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.966 0.412 . . . . 0.0 110.268 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.88 -15.6 0.18 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.16 81.39 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.78 88.74 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 111.144 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.91 -45.18 94.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.357 0.599 . . . . 0.0 109.962 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 80.3 p -62.45 -43.72 98.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . 0.605 ' CE2' ' SD ' ' A' ' 71' ' ' MET . 19.9 m95 -64.53 -45.02 88.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.272 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.25 -39.18 93.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.318 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.62 92.09 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.634 0.254 . . . . 0.0 111.202 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.61 88.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.4 -44.26 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.512 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -63.04 -48.52 78.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.786 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.94 95.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.13 -43.82 94.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.077 0.465 . . . . 0.0 110.245 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . 0.519 ' NH1' ' OE1' ' A' ' 14' ' ' GLU . 16.8 mmm180 -63.81 -42.68 97.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.048 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -64.81 -43.69 92.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 109.884 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.87 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.285 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.0 -37.47 87.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.88 -49.07 78.95 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.071 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -35.06 60.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' B' ' 68' ' ' ALA . . . 85.31 11.64 74.99 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.166 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.7 t 46.79 16.4 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.017 0.437 . . . . 0.0 110.456 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' B' ' 66' ' ' GLY . . . . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.871 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -90.46 111.87 23.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.212 -0.903 . . . . 0.0 111.1 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -149.36 157.15 43.08 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.332 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.6 tp -68.71 158.46 34.17 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.769 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.409 HG22 ' H ' ' A' ' 8' ' ' GLN . 8.7 t -171.04 169.9 6.41 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.65 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.61 -55.12 24.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.087 0.47 . . . . 0.0 110.192 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -44.68 -58.66 2.91 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.498 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' H ' HG22 ' A' ' 5' ' ' THR . 38.3 tp60 -46.01 -58.86 3.22 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -177.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.5 pt -57.26 -49.55 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.863 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.72 82.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.061 0.458 . . . . 0.0 109.885 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -57.8 -45.49 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.671 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.46 -44.15 95.3 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.209 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -56.58 -45.17 81.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.324 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.55 -55.16 38.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.125 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.514 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.68 -40.97 85.1 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.179 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CZ ' ' CE1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -58.96 -51.64 69.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.152 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.5 t -56.4 -35.61 67.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.11 -43.73 86.35 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.691 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.514 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 53.1 m-85 -70.83 -50.19 38.12 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.802 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.473 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 37.1 t0 -60.46 76.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.823 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.7 mmmt -61.26 -51.74 67.64 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.345 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 5.3 m-20 -60.5 -18.11 49.72 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.49 41.64 98.75 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.946 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -98.13 -2.08 40.82 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.904 0.352 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 97.21 10.01 54.94 Favored Glycine 0 N--CA 1.468 0.818 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 p -141.96 159.61 41.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -113.67 139.88 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.444 ' CG2' ' N ' ' A' ' 29' ' ' THR . 90.9 m -124.54 165.37 17.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 111.216 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.444 ' N ' ' CG2' ' A' ' 28' ' ' THR . 36.7 p -56.54 -43.76 80.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.429 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -67.51 -41.77 83.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.795 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 28' ' ' THR . 54.3 mt-10 -58.32 -60.92 3.02 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 tp -61.91 -48.31 81.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.871 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.66 -44.32 23.0 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.4 m -60.27 -47.81 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.6 t -60.94 -40.54 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.732 0.301 . . . . 0.0 110.611 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.0 mtp -66.14 -43.17 87.81 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.29 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -68.36 -51.23 46.62 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.663 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.8 p -50.58 -28.0 7.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.457 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.0 mt -80.57 -17.98 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.16 19.19 17.39 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -74.33 129.13 37.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -51.01 152.67 3.59 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.469 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -40.35 97.86 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 122.321 2.014 . . . . 0.0 111.721 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 t -137.85 -1.67 1.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.272 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -53.35 -22.04 6.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.399 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 -43.04 57.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.255 0.55 . . . . 0.0 110.22 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -55.99 -47.01 78.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.445 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -61.3 -50.99 70.73 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.101 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -45.56 -43.55 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.035 0.445 . . . . 0.0 110.802 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -72.12 -39.41 68.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.255 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.7 mmt -69.39 -48.26 61.71 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.625 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.448 HG23 HD12 ' A' ' 52' ' ' ILE . 30.9 mt -57.63 -42.1 80.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -60.27 -17.81 44.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.839 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -94.69 -55.27 3.19 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.477 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.4 m -65.41 -21.23 28.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 25.8 t0 -58.43 125.71 24.47 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.66 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.97 61.44 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.226 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -91.39 -3.73 56.41 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.554 0.216 . . . . 0.0 111.301 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.501 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 68.65 27.86 73.54 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.452 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 32.5 t-20 -79.79 -14.79 58.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 110.724 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.54 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 88.96 12.2 64.12 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.8 p -128.41 156.8 42.59 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.022 0.439 . . . . 0.0 110.737 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.401 HG22 HD13 ' A' ' 63' ' ' ILE . 28.0 mm -104.34 121.93 56.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.021 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 7.4 p30 -81.57 175.06 10.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.421 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.46 ' CE1' ' CZ ' ' A' ' 16' ' ' PHE . 2.9 m-85 -51.59 -64.72 1.26 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.394 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.2 Cg_endo -57.31 -47.53 21.84 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.477 2.118 . . . . 0.0 113.58 -177.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -49.65 -51.92 34.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.142 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 29.5 t80 -61.8 -49.13 77.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.143 0.497 . . . . 0.0 110.5 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tt -52.07 -28.8 18.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m -84.34 -70.24 0.59 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.3 ptp -53.54 -19.4 3.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.744 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -86.13 -30.45 22.51 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.13 179.314 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.23 74.78 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.563 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -66.9 -17.93 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.009 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt 39.51 -145.66 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.517 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.438 ' O ' ' SD ' ' A' ' 76' ' ' MET . 0.5 OUTLIER -137.57 88.44 2.34 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.241 0.543 . . . . 0.0 110.196 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 118.27 -0.872 . . . . 0.0 109.584 -179.667 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 46' ' ' THR . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' THR . . . . . 0.439 ' O ' ' O ' ' B' ' 45' ' ' GLY . 8.7 p 56.67 155.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 110.547 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.96 141.53 3.15 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . 0.431 ' O ' ' OG ' ' B' ' 51' ' ' SER . . . -58.22 -53.22 60.69 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.17 97.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.969 0.414 . . . . 0.0 111.126 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.02 -41.94 97.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.578 ' HG ' ' N ' ' B' ' 52' ' ' TRP . 77.2 p -60.44 -43.81 96.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.16 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . 0.578 ' N ' ' HG ' ' B' ' 51' ' ' SER . 55.1 m95 -66.45 -42.34 87.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.575 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.53 -41.29 96.47 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.438 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.21 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 111.326 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.35 -48.7 55.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.345 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' B' ' 57' ' ' ASP . 20.2 tt -67.48 -43.02 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 110.837 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . 0.464 ' N ' ' CG2' ' B' ' 56' ' ' ILE . 63.7 t0 -63.29 -39.21 93.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.494 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.0 -49.27 18.09 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.644 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.92 94.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.07 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -64.77 -41.75 95.64 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.56 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.499 ' O ' ' SD ' ' B' ' 65' ' ' MET . 59.6 tt0 -53.85 -45.49 70.96 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.65 91.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.956 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -63.14 -44.43 95.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.471 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 38.7 tp -61.85 -43.48 98.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.947 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' MET . . . . . 0.562 ' N ' ' SD ' ' B' ' 65' ' ' MET . 0.0 OUTLIER -66.25 -37.38 85.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.41 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.54 21.08 70.21 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 121.217 -0.516 . . . . 0.0 111.94 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 5.9 m 44.11 30.3 0.42 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.996 0.427 . . . . 0.0 110.595 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.216 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.448 ' H3 ' ' H ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.448 ' H ' ' H3 ' ' A' ' 1' ' ' ALA . 98.8 m-20 54.64 36.22 25.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.546 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -122.52 113.0 18.7 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.386 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.665 ' CD2' ' H ' ' A' ' 4' ' ' LEU . 1.2 pt? -91.44 -147.76 0.21 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.115 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.503 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 2.6 t -170.04 172.23 6.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.217 0.532 . . . . 0.0 110.893 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 39.2 tp10 -46.9 -57.89 4.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.775 0.798 . . . . 0.0 110.216 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.58 -56.68 4.87 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.541 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -45.58 -56.34 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 13.2 pt -57.63 -47.6 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.81 -178.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.89 -36.57 83.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.122 0.487 . . . . 0.0 109.815 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.12 -48.72 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.35 -38.97 93.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.895 0.379 . . . . 0.0 110.099 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -45.59 82.19 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.32 -54.75 43.17 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.757 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -56.25 -39.82 73.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.984 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -52.47 65.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -54.96 -32.58 61.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.943 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.4 -41.88 75.85 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.856 -0.337 . . . . 0.0 111.48 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 21' ' ' LYS . 60.7 m-85 -71.63 -55.41 7.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.803 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 28.0 t0 -54.33 84.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.751 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 19' ' ' PHE . 33.1 mmtt -65.96 -55.21 17.94 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.658 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 21.8 p30 -63.06 -18.54 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 64.05 41.37 98.56 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.023 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -89.66 -5.55 56.99 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.021 0.41 . . . . 0.0 111.24 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.38 0.78 50.48 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -140.07 158.6 43.8 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.2 mt -107.62 139.79 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.137 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.547 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 5.4 t -130.05 -176.94 4.1 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.991 0.424 . . . . 0.0 110.854 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.6 p -60.44 -46.51 89.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.107 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' H ' HG22 ' A' ' 28' ' ' THR . 55.1 mtpt -65.88 -46.39 78.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.304 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' A' ' 28' ' ' THR . 28.0 mt-10 -54.56 -60.38 3.43 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.259 0.552 . . . . 0.0 109.856 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.16 -45.24 94.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.752 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.17 -43.89 33.36 Favored Glycine 0 N--CA 1.454 -0.138 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.4 m -59.31 -49.61 77.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.81 -40.69 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 41.9 mtp -66.66 -40.75 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.693 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' GLY . 75.8 ttt180 -76.18 -50.83 13.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 m -50.32 -25.13 3.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.686 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.83 -14.31 34.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 95.56 19.13 30.63 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 112.083 -0.407 . . . . 0.0 112.083 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.514 ' HG2' ' H ' ' A' ' 42' ' ' ASN . 26.0 tt0 -96.46 177.84 5.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.015 0.436 . . . . 0.0 110.527 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.514 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 12.6 m120 -36.25 101.92 0.22 Allowed Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.273 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -74.83 -16.24 20.76 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.56 2.174 . . . . 0.0 112.031 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.33 125.38 23.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.557 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 46' ' ' ALA . 68.3 tt0 -81.76 -44.64 16.73 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.799 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -39.23 -45.67 1.4 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.427 0.632 . . . . 0.0 109.306 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -58.98 -54.6 45.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.257 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mp -54.04 -50.98 65.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -51.72 -28.7 15.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.37 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -78.62 -46.82 18.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.964 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.411 ' CE ' ' HG ' ' B' ' 51' ' ' SER . 64.0 mtt -65.24 -44.7 87.37 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.73 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 mt -64.22 -43.42 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -61.88 -39.37 91.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.059 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -66.47 -39.68 88.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.183 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.5 m -105.09 27.26 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.543 ' CG ' ' H ' ' A' ' 57' ' ' ALA . 38.5 t0 -75.69 -140.34 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.754 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.543 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . -168.88 -73.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.253 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -85.24 -2.09 57.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.682 0.277 . . . . 0.0 111.449 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.27 12.39 82.25 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.94 -20.16 61.8 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.086 0.469 . . . . 0.0 110.387 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.63 17.04 66.88 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.1 p -130.69 156.72 44.45 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.822 0.344 . . . . 0.0 110.774 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.05 119.64 53.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.163 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -84.13 176.89 8.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.305 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.4 m-85 -50.34 -66.43 0.65 Allowed Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.151 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.2 Cg_endo -57.35 -43.3 53.33 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.429 2.086 . . . . 0.0 113.185 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -50.57 -52.97 34.15 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.667 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -61.58 -45.31 94.67 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.522 0.677 . . . . 0.0 110.024 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.44 ' C ' ' CD1' ' A' ' 69' ' ' LEU . 2.4 tm? -54.91 -35.88 64.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.137 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.5 m -83.12 -65.86 0.96 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.617 -0.677 . . . . 0.0 112.606 -178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.5 ptp -46.05 -19.96 0.08 Allowed 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.783 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -85.45 -24.61 27.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.906 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.82 31.35 0.86 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.529 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -97.52 3.21 50.72 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.94 0.4 . . . . 0.0 110.588 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -43.8 -40.3 4.32 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.7 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.4 tpp 64.59 82.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.252 0.549 . . . . 0.0 110.355 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.086 179.875 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 63.0 p -70.17 -33.16 71.41 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.835 0.35 . . . . 0.0 110.269 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.85 -74.91 0.43 Allowed Glycine 0 CA--C 1.528 0.906 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.87 96.6 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.08 -39.23 93.62 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.02 0.438 . . . . 0.0 110.999 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.42 -42.72 98.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.44 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.411 ' HG ' ' CE ' ' A' ' 51' ' ' MET . 72.0 m -60.23 -45.07 94.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.416 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -66.46 -46.91 74.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.407 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -61.85 -41.87 98.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.307 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . 0.441 ' CB ' HE22 ' A' ' 41' ' ' GLN . . . -65.52 -40.45 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.191 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.05 93.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.362 . . . . 0.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.4 HG22 HD13 ' B' ' 56' ' ' ILE . 94.9 mt -65.13 -43.93 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.654 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.37 -47.9 82.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.792 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.63 -38.41 77.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.77 72.72 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.35 0.595 . . . . 0.0 110.134 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -65.78 -34.03 77.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.731 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -56.44 -45.59 80.71 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.75 89.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.279 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -63.4 -44.28 95.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.708 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.54 -45.76 91.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 88.7 mmm -67.65 -37.76 82.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.126 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.03 -0.82 65.45 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.816 -0.513 . . . . 0.0 111.816 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.6 t -158.68 151.88 22.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.879 0.371 . . . . 0.0 110.806 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.654 179.87 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -81.1 -2.36 47.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.005 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -79.42 157.77 27.49 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.648 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 5' ' ' THR . 1.8 tp -71.57 179.79 2.88 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.668 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.446 HG23 ' H ' ' A' ' 8' ' ' GLN . 7.7 t -175.53 177.15 1.83 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.665 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.68 -49.72 76.38 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 121.241 0.543 . . . . 0.0 109.659 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -46.07 -55.18 7.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.828 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' H ' HG23 ' A' ' 5' ' ' THR . 45.2 tp60 -45.91 -58.15 3.78 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.1 pt -56.78 -47.3 82.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.708 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.32 94.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.33 0.586 . . . . 0.0 109.921 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -52.21 -44.89 65.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.412 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.19 -43.1 96.1 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.066 179.621 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -56.97 -45.87 82.58 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.85 0.357 . . . . 0.0 110.372 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.8 -53.45 57.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.761 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.77 80.06 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.276 0.56 . . . . 0.0 109.934 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -51.28 70.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.738 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.2 t -54.17 -36.68 63.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.13 -42.57 96.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' LYS . 55.3 m-85 -71.5 -50.42 31.68 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.631 -0.428 . . . . 0.0 112.036 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 66.4 t0 -61.8 71.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.265 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.8 mmmt -56.44 -48.99 75.87 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.905 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -61.29 -16.95 50.89 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.403 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.57 41.14 72.66 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.773 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -92.76 -3.76 54.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.066 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.56 3.41 43.59 Favored Glycine 0 N--CA 1.466 0.695 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.9 p -144.11 165.57 27.44 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -110.19 132.12 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' A' ' 29' ' ' THR . 88.4 m -112.87 164.06 13.88 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.961 0.41 . . . . 0.0 110.865 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.433 ' N ' ' CG2' ' A' ' 28' ' ' THR . 32.0 p -56.58 -41.74 77.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.609 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' O ' ' OG1' ' A' ' 34' ' ' THR . 99.5 mttt -69.0 -42.85 75.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.656 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -57.33 -62.88 1.46 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.052 0.453 . . . . 0.0 109.94 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD21 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.44 -45.19 94.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.719 178.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' N ' HD21 ' A' ' 32' ' ' LEU . . . -52.39 -44.45 58.57 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -178.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 20.0 m -61.94 -44.28 97.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.62 -39.83 84.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 CA-C-O 120.693 0.282 . . . . 0.0 111.069 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.2 mmm -67.12 -47.34 71.44 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.631 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -69.38 -50.21 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.51 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.4 t -52.08 -21.33 3.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.522 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.4 mt -82.68 -12.78 57.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.351 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.79 17.91 26.76 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -82.65 123.98 29.77 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.969 0.414 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -42.1 155.21 0.25 Allowed Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.29 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -40.06 98.49 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.271 0 C-N-CA 122.191 1.927 . . . . 0.0 111.622 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -135.46 -1.15 2.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -53.97 -19.12 4.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.398 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.27 -40.37 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.153 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -58.16 -47.5 83.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.551 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.2 mm? -64.56 -51.44 62.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.227 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -46.64 -42.17 15.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.448 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -68.67 -38.88 80.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.714 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.9 mmt -63.98 -47.82 78.85 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.6 mt -62.4 -42.91 97.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -52.33 -17.65 1.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' C ' ' H ' ' A' ' 56' ' ' ASP . 84.3 tt0 -99.62 -58.82 1.84 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.284 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.47 30.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 22.8 t0 -89.37 114.18 25.58 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.261 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.84 -67.57 0.35 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -91.93 -3.57 55.78 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.05 17.3 74.85 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -71.46 -21.08 62.0 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.016 0.436 . . . . 0.0 110.534 -179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 91.5 20.8 36.55 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 p -137.66 160.9 37.92 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.737 0.303 . . . . 0.0 110.805 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.5 mm -110.38 129.08 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.372 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.45 -179.24 5.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.392 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -49.99 -68.11 0.39 Allowed Pre-proline 0 CA--C 1.546 0.811 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.468 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 21.0 Cg_endo -58.89 -48.06 15.92 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.399 2.066 . . . . 0.0 113.365 -177.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -51.07 -48.53 61.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.939 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' C ' ' CD1' ' A' ' 68' ' ' PHE . 25.1 t80 -59.01 -50.04 75.62 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.818 0.818 . . . . 0.0 109.802 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.441 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 2.2 tm? -59.01 -56.35 23.39 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.469 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 73' ' ' ALA . 17.3 m -55.57 -64.59 0.8 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.687 -177.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.2 ptp -42.88 -24.94 0.08 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.813 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.413 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -83.63 -28.73 28.23 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.793 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 70' ' ' THR . . . -97.24 15.36 23.0 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.647 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -102.54 -5.62 23.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.485 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 58.47 33.63 23.27 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.868 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 99.2 mmm -39.36 113.25 0.31 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.669 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.9 tttm . . . . . 0 C--O 1.218 -0.569 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.537 -179.48 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 85.4 m -126.31 133.37 51.41 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.937 0.398 . . . . 0.0 110.232 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' B' ' 50' ' ' LEU . . . 95.7 -121.45 6.9 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . 32.86 -104.39 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.59 90.15 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 111.033 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 47' ' ' GLY . 52.8 tp -63.62 -41.45 98.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.31 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 70.8 m -59.28 -43.47 92.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.207 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -66.24 -45.79 79.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.629 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.27 -39.04 89.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.047 0.451 . . . . 0.0 111.528 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.75 76.22 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.412 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.81 75.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.347 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.436 HG23 HD13 ' B' ' 56' ' ' ILE . 0.3 OUTLIER -66.46 -40.17 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.238 0.542 . . . . 0.0 110.622 -179.33 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -61.72 -43.22 99.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.222 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.41 -39.11 74.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.478 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.71 98.34 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.027 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -48.17 79.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.476 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -65.04 -40.39 94.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.101 0.477 . . . . 0.0 109.837 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.36 89.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.586 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.43 -47.48 83.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.73 -41.74 98.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.099 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 26.7 ttt -65.96 -37.71 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.98 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.73 1.94 89.9 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.1 m -134.64 153.55 51.93 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.946 0.403 . . . . 0.0 110.715 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.232 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.06 145.69 51.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.574 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -71.19 173.06 8.16 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.218 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.519 ' CD2' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -41.05 -90.67 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.705 -179.557 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -156.53 144.92 19.8 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-O 120.885 0.374 . . . . 0.0 110.573 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.41 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 83.7 tt0 -46.56 -58.61 3.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.395 0.617 . . . . 0.0 110.701 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.582 ' CG ' ' H ' ' A' ' 8' ' ' GLN . 5.4 pt-20 -47.33 -59.53 3.13 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.494 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.582 ' H ' ' CG ' ' A' ' 7' ' ' GLU . 67.0 mt-30 -42.55 -55.3 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 11.2 pt -61.03 -48.31 89.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.821 -0.752 . . . . 0.0 110.581 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.9 82.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -54.26 -41.72 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.944 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.441 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.28 -44.56 94.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.065 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -59.42 -44.53 92.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -57.94 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.69 -43.18 84.92 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.068 0.461 . . . . 0.0 110.094 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -50.89 71.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.691 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -57.08 -32.7 66.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.52 -41.2 84.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.736 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' LYS . 31.1 m-85 -80.77 -43.68 19.77 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.592 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 68.2 t0 -65.47 61.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.344 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.3 mmmt -51.93 -43.5 63.48 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.48 -19.41 62.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.52 37.21 74.04 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.968 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.3 p-10 -98.44 -17.85 18.56 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.927 0.364 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.479 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 114.7 9.72 13.83 Favored Glycine 0 N--CA 1.469 0.859 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.43 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -143.55 154.73 43.9 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.2 mt -112.95 126.3 70.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 31' ' ' GLU . 15.2 t -114.64 176.86 4.87 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.068 0.461 . . . . 0.0 111.125 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 p -61.36 -38.42 86.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.809 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.409 ' O ' ' OG1' ' A' ' 34' ' ' THR . 8.4 mtmp? -68.53 -45.1 73.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.151 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' H ' HG23 ' A' ' 28' ' ' THR . 33.1 mt-10 -58.94 -63.25 1.37 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 109.917 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.4 tp -61.65 -49.55 76.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.745 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.33 -41.08 23.6 Favored Glycine 0 CA--C 1.518 0.243 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 96.6 m -61.48 -51.81 67.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.83 -40.46 85.23 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-O 120.741 0.305 . . . . 0.0 111.037 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 53.6 mmm -65.67 -29.38 69.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.919 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -74.39 -50.36 18.9 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.343 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.7 t -60.24 -30.98 69.77 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.215 0.531 . . . . 0.0 110.779 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.27 -30.11 68.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.467 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.35 18.59 10.16 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.45 HE21 ' ND2' ' A' ' 42' ' ' ASN . 69.8 tp60 -78.85 155.35 29.18 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.058 0.456 . . . . 0.0 110.899 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.45 ' ND2' HE21 ' A' ' 41' ' ' GLN . 80.0 m-20 -37.04 142.43 0.37 Allowed Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.505 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' A' ' 45' ' ' GLU . 56.3 Cg_endo -72.28 -7.7 21.42 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 122.554 2.169 . . . . 0.0 111.864 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -57.8 77.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.305 0.574 . . . . 0.0 111.456 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 43' ' ' PRO . 15.3 pt-20 -69.6 -7.97 43.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.547 0.689 . . . . 0.0 110.163 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.64 65.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.598 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -57.04 -47.43 80.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.704 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.511 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 7.3 mp -61.99 -49.26 76.76 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -52.27 -45.49 65.45 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -73.56 -41.72 62.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.238 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.1 mmt -61.03 -49.9 75.53 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.635 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.4 mt -64.27 -42.19 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 35.5 t-20 -57.37 -35.78 70.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.735 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -67.44 -44.03 79.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.261 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 56' ' ' ASP . 18.8 m -95.35 16.9 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 55' ' ' VAL . 54.7 p30 -59.88 -145.36 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.977 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.38 -66.15 0.12 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.22 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -99.37 12.08 37.32 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.492 0.187 . . . . 0.0 111.441 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.67 18.1 79.85 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -108.28 -0.27 20.91 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.458 -0.371 . . . . 0.0 110.366 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.668 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 71.43 176.4 24.56 Favored Glycine 0 C--O 1.221 -0.705 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.668 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 17.5 p 92.28 138.13 0.03 OUTLIER 'General case' 0 C--N 1.347 0.496 0 O-C-N 124.271 0.63 . . . . 0.0 111.396 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.6 mm -105.86 135.41 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.161 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.44 176.28 6.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.485 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.2 m-85 -52.94 -66.1 0.89 Allowed Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.947 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 18.6 Cg_endo -58.95 -44.25 36.82 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.49 2.127 . . . . 0.0 113.065 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -48.94 -54.94 13.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.037 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -61.06 -49.08 78.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.264 0.554 . . . . 0.0 110.575 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.37 -27.29 46.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.769 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.413 ' C ' ' H ' ' A' ' 72' ' ' MET . 27.0 m -88.64 -68.64 0.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 ptp -47.19 -17.05 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.401 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.413 ' H ' ' C ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -87.6 -25.27 23.67 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.261 179.801 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.63 24.09 1.79 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.436 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -86.36 0.05 54.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.951 0.405 . . . . 0.0 110.607 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -93.34 29.99 1.8 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.656 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 89.7 mtp -114.53 131.02 56.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.243 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.0 tptt . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.993 179.909 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.111 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 100.0 m -121.06 126.21 49.26 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.158 0.504 . . . . 0.0 110.452 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.91 160.49 51.58 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.15 75.06 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.28 96.75 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.967 0.413 . . . . 0.0 111.047 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.9 tp -63.14 -40.25 97.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.149 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 15.8 t -61.14 -44.58 97.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.267 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -63.27 -46.64 85.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.407 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -65.35 -42.93 92.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.479 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.89 86.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.611 0.243 . . . . 0.0 111.144 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.38 91.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.728 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.79 -44.04 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.04 -47.76 84.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.793 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.5 -39.74 77.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.81 97.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.135 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -62.24 -46.24 89.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.849 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -64.89 -38.91 92.54 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.87 95.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.381 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.46 -42.93 98.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.51 -43.23 99.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.47 -36.81 83.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.21 9.93 60.07 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.9 t -137.51 139.02 40.27 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 117.001 0.401 . . . . 0.0 110.467 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.414 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.79 -41.4 99.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.437 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -141.83 156.57 45.54 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.834 0.35 . . . . 0.0 110.114 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 47.28 87.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.027 0.441 . . . . 0.0 112.039 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.482 ' OG1' ' N ' ' A' ' 6' ' ' GLU . 9.9 t -93.49 -150.8 0.29 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.648 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.482 ' N ' ' OG1' ' A' ' 5' ' ' THR . 83.3 tt0 -69.66 -40.72 76.28 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.779 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.425 ' H ' HG22 ' A' ' 5' ' ' THR . 32.0 tt0 -51.56 -62.86 1.36 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -49.02 -53.75 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -176.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.6 pt -54.54 -43.83 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.333 -177.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.45 84.91 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.899 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.2 -46.39 85.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.802 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -43.56 98.51 Favored 'General case' 0 CA--C 1.533 0.288 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.34 -44.14 75.64 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.298 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.23 -55.28 33.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.538 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.31 -40.99 79.02 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.839 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -49.92 75.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.7 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -57.93 -32.54 67.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.948 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.92 -45.01 68.46 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.987 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 43.4 m-85 -73.27 -44.35 59.44 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.569 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 44.5 t0 -64.01 70.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.902 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.9 mmmt -58.57 -49.17 78.41 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.038 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' OD2' ' OD2' ' A' ' 24' ' ' ASP . 41.8 t0 -60.49 -18.24 50.43 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.96 40.54 95.52 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.539 178.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.59 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -99.87 -7.89 24.75 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.213 0.507 . . . . 0.0 110.783 179.632 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.455 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 101.87 10.64 39.66 Favored Glycine 0 N--CA 1.467 0.757 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -141.33 150.99 43.2 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.8 mt -110.02 144.22 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.553 HG22 ' H ' ' A' ' 31' ' ' GLU . 2.9 t -138.43 164.49 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.186 0.517 . . . . 0.0 110.882 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.452 ' H ' ' HG1' ' A' ' 28' ' ' THR . 5.6 p -51.51 -42.7 61.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.887 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -64.62 -44.62 89.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.453 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.553 ' H ' HG22 ' A' ' 28' ' ' THR . 88.4 mt-10 -63.52 -62.38 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.196 0.522 . . . . 0.0 110.244 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -43.6 98.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.497 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 29' ' ' THR . . . -54.51 -42.63 76.54 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -178.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.4 m -59.56 -47.87 83.86 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.17 -41.31 86.24 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-O 120.823 0.344 . . . . 0.0 110.466 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.481 ' CE ' ' OE1' ' A' ' 41' ' ' GLN . 59.0 mmm -63.78 -40.77 97.46 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.027 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -68.81 -50.58 48.9 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.116 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -52.21 -33.05 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.628 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.4 mt -69.55 -18.69 63.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.206 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.25 24.72 10.04 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.481 ' OE1' ' CE ' ' A' ' 36' ' ' MET . 88.6 mt-30 -82.22 126.77 32.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.562 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.432 ' CB ' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -50.13 179.39 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.433 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.162 -178.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 42' ' ' ASN . 26.6 Cg_exo -61.41 100.79 0.19 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.265 1.977 . . . . 0.0 111.645 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.7 t -148.1 2.42 0.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.926 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.82 -16.08 4.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.285 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.14 -42.6 62.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.392 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 15.7 mp0 -53.32 -49.33 67.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.73 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.36 -48.59 77.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.549 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -47.64 -48.53 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.756 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -70.43 -39.28 74.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.44 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.9 mtt -65.34 -42.77 92.55 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.447 HG21 HD12 ' A' ' 52' ' ' ILE . 25.9 mt -63.8 -44.92 98.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -62.2 -32.21 72.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.714 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -77.99 -56.44 4.48 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.1 m -64.43 -34.96 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' A' ' 59' ' ' GLY . 60.9 t0 -40.62 130.03 2.46 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.451 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . -85.76 -39.91 16.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.808 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -87.3 -20.61 26.58 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 111.337 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.521 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 80.75 17.46 72.83 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.51 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 99.3 m-20 -71.57 -19.95 62.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.977 0.418 . . . . 0.0 110.316 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.58 7.02 60.6 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.1 p -129.74 161.19 31.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.657 0.265 . . . . 0.0 110.684 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.417 HG23 HD13 ' A' ' 63' ' ' ILE . 24.7 mm -105.33 124.66 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -91.56 -176.94 4.66 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 111.253 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -52.66 -46.05 96.18 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.372 -179.134 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 2.1 Cg_endo -75.0 -50.49 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.783 2.322 . . . . 0.0 113.085 -176.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -53.79 -41.72 67.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.464 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -71.71 -65.71 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.505 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 tt -47.87 -26.22 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.571 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.8 m -84.92 -71.3 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.514 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 13.3 ptp -47.78 -17.62 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.894 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.7 ptm -90.51 -31.32 16.8 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.786 0.326 . . . . 0.0 111.425 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.97 -2.41 15.18 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.982 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -107.56 -1.73 20.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.908 0.385 . . . . 0.0 110.594 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' A' ' 71' ' ' MET . 41.7 mmtm -73.62 -37.48 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.042 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.2 mtm -67.23 -90.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.5 pttp . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.11 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.5 p -58.6 -60.46 3.78 Favored 'General case' 0 C--N 1.334 -0.097 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.628 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 50' ' ' LEU . . . 38.16 -114.03 0.29 Allowed Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . 34.02 -105.5 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.03 95.52 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.112 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' B' ' 47' ' ' GLY . 58.0 tp -63.01 -43.94 97.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.252 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 71.9 m -64.65 -52.31 58.0 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.718 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -47.77 84.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.142 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -65.94 -37.73 86.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.245 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.74 -34.97 75.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.079 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.59 -49.79 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.447 ' N ' ' CD1' ' B' ' 56' ' ' ILE . 2.2 mp -65.28 -43.9 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 110.719 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.27 -45.51 94.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.692 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.51 79.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.594 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.22 92.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.136 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -62.16 -45.99 90.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.558 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -65.94 -40.55 91.48 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.41 99.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.46 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.49 -45.69 89.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 63.1 mt -63.4 -42.99 98.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.922 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 95.7 mtp -68.14 -37.63 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.088 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.65 12.5 77.66 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 34.9 p -154.15 161.84 41.59 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.705 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.952 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -78.71 148.19 33.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.431 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 4' ' ' LEU . 3.0 pt20 -48.38 171.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.477 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 3' ' ' GLN . 1.3 tp -47.92 179.89 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.018 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 t -174.48 175.57 2.53 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -55.3 -53.49 55.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.105 0.479 . . . . 0.0 110.203 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -45.71 -57.65 4.08 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.862 0.363 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -44.36 -57.68 3.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -176.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.424 HG22 HD13 ' A' ' 9' ' ' ILE . 13.5 pt -56.95 -47.09 83.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.675 -178.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.03 93.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 0.0 109.979 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -57.93 -45.25 86.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.808 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -65.64 -40.21 92.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.179 179.745 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.3 -40.69 74.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.099 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.9 -54.67 31.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.915 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.44 -39.62 76.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.046 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -50.06 75.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.678 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.6 t -57.26 -33.46 67.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.148 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.8 mt -68.51 -42.53 78.44 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.615 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.0 m-85 -71.87 -52.65 16.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.771 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.468 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.5 t0 -59.85 77.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.599 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -60.99 -52.26 65.76 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.288 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.542 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.9 p-10 -61.99 -18.72 61.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 60.41 41.66 98.63 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.113 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -89.81 -4.06 57.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.005 0.402 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.43 1.48 47.19 Favored Glycine 0 N--CA 1.467 0.722 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -140.68 170.51 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -114.77 134.67 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 29' ' ' THR . 51.4 m -110.05 164.35 12.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.107 0.48 . . . . 0.0 111.175 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.401 ' N ' ' CG2' ' A' ' 28' ' ' THR . 7.3 m -61.13 -42.16 98.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.793 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -70.39 -41.03 73.57 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.767 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -54.71 -60.04 3.9 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.8 tp -58.58 -47.56 83.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.791 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.01 -43.52 31.64 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.6 m -61.31 -47.06 87.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.18 -35.78 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.978 0.418 . . . . 0.0 110.631 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 42.6 mmm -67.98 -47.29 68.95 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.677 179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -67.34 -47.47 70.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.792 0.33 . . . . 0.0 110.474 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.8 p -52.46 -25.27 9.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.713 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.0 mt -83.27 -11.72 57.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.88 19.37 22.19 Favored Glycine 0 N--CA 1.465 0.628 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -84.12 122.93 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.003 0.43 . . . . 0.0 110.756 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -42.02 148.6 0.47 Allowed Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.575 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -42.17 120.04 1.45 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.167 1.911 . . . . 0.0 111.804 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -150.7 17.28 0.79 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.423 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -53.52 -19.58 3.9 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.285 0.564 . . . . 0.0 110.401 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.61 -41.04 55.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.206 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -57.26 -43.9 83.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.595 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 6.7 mp -62.02 -52.3 64.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.033 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -47.62 -42.71 24.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.873 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -79.03 -41.43 28.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.661 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.6 mmt -62.65 -50.33 71.65 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.992 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.407 ' C ' ' H ' ' A' ' 54' ' ' GLU . 63.2 mt -64.32 -43.92 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.947 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -46.84 -17.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.187 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 52' ' ' ILE . 79.6 mm-40 -104.59 -54.96 2.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.645 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 m -89.53 34.96 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.569 ' OD1' ' N ' ' A' ' 62' ' ' THR . 14.4 t70 -85.93 -24.41 26.58 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.884 0.373 . . . . 0.0 111.078 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 56' ' ' ASP . . . 82.58 -61.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -96.46 -4.57 41.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.47 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.566 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 69.28 16.78 71.56 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 98.0 m-20 -75.26 -23.51 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.407 . . . . 0.0 110.577 -179.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.533 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 100.05 -0.27 56.16 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.569 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 5.6 p -121.97 155.12 36.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.975 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.3 mm -103.7 121.48 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.087 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -82.52 174.7 10.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.4 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -51.24 -65.98 0.8 Allowed Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.138 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 16.4 Cg_endo -56.06 -44.8 43.47 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.685 2.256 . . . . 0.0 113.203 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -49.55 -53.64 22.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -61.25 -46.84 88.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.804 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 2.3 tm? -51.95 -37.87 54.4 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.27 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.6 m -79.19 -70.02 0.53 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.0 ptp -49.77 -18.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.68 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -26.99 20.73 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.881 0.372 . . . . 0.0 111.364 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.97 -38.39 75.95 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.568 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -51.94 -63.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.34 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt 42.89 37.83 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.362 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.9 ttt 60.83 99.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.141 0.495 . . . . 0.0 110.424 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.228 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.432 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 72.5 p -84.28 165.11 18.58 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.568 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.5 166.5 36.29 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.02 -50.37 72.29 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.2 94.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.775 0.321 . . . . 0.0 111.157 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.65 -41.8 99.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.335 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -59.27 -46.7 87.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.351 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -67.44 -46.54 72.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.582 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -59.34 -44.83 92.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.454 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.88 97.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.032 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.31 -46.59 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.25 -44.22 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.414 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -63.99 -45.56 88.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.784 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.73 82.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.1 93.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.011 0.434 . . . . 0.0 110.026 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -66.07 -39.68 90.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.08 -40.69 95.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.821 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.95 -47.67 82.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.43 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.77 -41.06 96.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.568 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.6 tp -61.61 -45.91 92.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.16 -36.43 79.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.894 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.21 3.58 72.48 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 11.5 t 43.18 82.24 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.952 0.406 . . . . 0.0 110.589 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.734 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -148.77 133.53 17.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.79 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -87.07 121.36 29.41 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.311 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' HG ' ' H ' ' A' ' 5' ' ' THR . 6.4 tt -64.6 166.31 8.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.435 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 7.5 t -169.41 167.65 9.88 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.787 0.327 . . . . 0.0 110.526 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.409 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 81.4 tt0 -46.35 -57.22 4.82 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 121.121 0.486 . . . . 0.0 110.123 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -43.59 -56.19 3.85 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.178 -0.326 . . . . 0.0 110.468 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -41.92 -58.84 1.91 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 10' ' ' ALA . 10.3 pt -58.6 -49.48 82.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.196 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.417 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -58.74 -37.05 75.33 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -59.47 -44.82 92.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.179 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.27 -43.93 96.54 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.011 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -60.44 -45.53 93.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.368 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -56.01 -54.31 46.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.027 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.69 -45.96 88.32 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.315 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -49.74 74.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -58.45 -37.68 75.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.455 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.94 -41.43 97.95 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.19 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 62.6 m-85 -73.11 -41.11 64.37 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.912 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.531 ' OD2' ' N ' ' A' ' 26' ' ' THR . 46.2 t0 -66.96 68.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.072 -179.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.8 mmmt -57.65 -47.61 81.78 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.698 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 20.1 t0 -57.42 -16.11 8.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.89 36.98 56.82 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.195 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -98.13 -2.53 39.78 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.931 0.366 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.86 4.75 51.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.531 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 4.9 p -143.69 156.68 44.61 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 122.553 -0.38 . . . . 0.0 110.095 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -105.05 127.36 59.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 29' ' ' THR . 61.2 m -108.38 164.82 12.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.481 ' N ' ' CG2' ' A' ' 28' ' ' THR . 40.0 p -54.76 -43.48 72.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.693 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.436 ' H ' HG21 ' A' ' 28' ' ' THR . 9.2 mtpm? -67.4 -40.92 85.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.713 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.09 -57.43 12.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.086 0.47 . . . . 0.0 109.877 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.15 -48.77 80.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.747 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.13 -44.11 26.0 Favored Glycine 0 CA--C 1.519 0.309 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.1 m -59.71 -49.27 78.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.98 -41.79 90.45 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 CA-C-O 120.629 0.252 . . . . 0.0 110.855 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 61.3 mmm -63.36 -34.25 77.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.353 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -80.6 -50.35 10.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.2 m -48.84 -18.53 0.28 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.759 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.9 mt -68.13 -14.12 62.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.369 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.14 39.07 2.53 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.68 -0.568 . . . . 0.0 111.68 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.454 ' CG ' ' H ' ' A' ' 42' ' ' ASN . 46.0 tt0 -144.6 171.84 13.81 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.579 -0.365 . . . . 0.0 110.628 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.539 ' N ' ' ND2' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -116.44 77.72 7.94 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.232 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -79.48 177.26 8.71 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.9 2.4 . . . . 0.0 111.657 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.9 m -120.59 148.78 43.43 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 110.599 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.531 ' CG ' ' H ' ' A' ' 46' ' ' ALA . 6.0 pt-20 -70.12 -56.09 7.77 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.18 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' H ' ' CG ' ' A' ' 45' ' ' GLU . . . -39.68 -43.64 1.4 Allowed 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -57.56 -63.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.045 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 mp -57.27 -50.36 73.16 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 26.3 mt-30 -50.56 -26.84 5.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.513 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -80.52 -42.76 21.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.846 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.4 mmt -62.32 -45.53 92.81 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.623 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.6 mt -66.54 -44.92 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 49' ' ' GLN . 7.4 m120 -60.41 -37.54 81.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.81 -40.07 95.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.145 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.633 ' CG2' ' H ' ' A' ' 56' ' ' ASP . 29.5 m -98.33 -67.27 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 119.483 -0.294 . . . . 0.0 111.709 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.633 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 10.8 p-10 30.67 -138.07 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.065 0.228 . . . . 0.0 111.122 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -173.2 -71.55 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.715 0.293 . . . . 0.0 110.78 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.65 -3.47 59.04 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.071 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.47 7.98 85.61 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -71.82 -16.11 62.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.993 0.425 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.01 17.67 64.71 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -127.27 153.67 45.86 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.001 0.429 . . . . 0.0 110.812 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.6 mm -107.85 128.61 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.536 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -96.94 175.67 6.25 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.416 0.627 . . . . 0.0 110.895 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -47.25 -56.03 13.84 Favored Pre-proline 0 C--O 1.243 0.751 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.703 -179.564 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 41.6 Cg_endo -69.96 -41.6 3.88 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.148 1.899 . . . . 0.0 112.67 -178.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -58.48 -44.0 89.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.341 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 19.7 t80 -61.44 -50.08 74.24 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.444 0.64 . . . . 0.0 109.999 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.94 -51.42 68.17 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.289 -0.565 . . . . 0.0 110.96 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.7 m -56.63 -49.43 74.99 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.16 -0.338 . . . . 0.0 111.568 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ptp -63.39 -23.82 67.57 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.878 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.417 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -82.31 -26.41 33.07 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.77 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.71 25.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.247 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -95.37 -9.18 33.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.532 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -173.26 93.18 0.1 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.392 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.43 ' CG ' ' N ' ' A' ' 77' ' ' LYS . 13.5 ptp -101.81 -42.13 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.12 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' A' ' 76' ' ' MET . 97.6 mttt . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 117.85 -1.071 . . . . 0.0 110.223 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 70.6 p 41.1 33.99 0.27 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.843 0.354 . . . . 0.0 110.631 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -129.7 -57.31 0.1 Allowed Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.98 92.09 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.31 94.82 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.842 0.353 . . . . 0.0 111.166 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.27 -43.17 98.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.302 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -60.3 -46.43 89.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.35 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -66.89 -46.58 74.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.403 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.1 -44.89 96.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.434 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.38 93.42 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.266 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.77 90.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.94 -44.13 97.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.635 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.05 -48.42 80.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.76 -38.6 91.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.519 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.58 -39.1 92.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.025 0.441 . . . . 0.0 109.907 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -63.39 -45.38 91.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.778 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.02 -38.93 92.52 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.62 98.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.514 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.9 -44.25 96.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.652 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.97 -44.13 97.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.0 mmm -67.9 -36.47 80.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.088 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.49 12.0 82.44 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.3 m -60.57 -42.04 95.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.057 0.456 . . . . 0.0 110.174 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.89 -1.053 . . . . 0.0 110.674 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.641 ' H3 ' ' NE2' ' A' ' 3' ' ' GLN . . . . . . . . 0 N--CA 1.485 1.31 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 55.09 33.55 20.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.362 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.641 ' NE2' ' H3 ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -52.91 174.77 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.648 179.864 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 5' ' ' THR . 5.8 mt -60.88 -75.11 0.07 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 4' ' ' LEU . 94.2 m -168.38 163.31 12.76 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.459 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' N ' ' CG2' ' A' ' 5' ' ' THR . 44.0 tt0 -47.57 -59.96 2.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.39 0.614 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.49 -60.97 1.88 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.556 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -44.29 -60.36 1.95 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 10' ' ' ALA . 16.0 pt -55.51 -49.8 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.784 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -58.78 -29.45 66.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -66.12 -46.85 76.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.208 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.491 ' CZ ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -63.26 -44.63 94.59 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.183 -179.362 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -57.2 -47.86 80.21 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.55 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -56.99 -56.28 23.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.995 0.426 . . . . 0.0 110.367 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.65 -42.67 88.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.252 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.89 -51.7 68.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.836 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 t -56.39 -35.71 68.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.5 -43.16 86.07 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.584 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.8 m-85 -69.68 -52.9 21.57 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.715 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 26' ' ' THR . 45.8 t0 -59.86 76.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.941 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.4 mmmt -61.6 -52.97 62.21 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.293 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 4.6 m-20 -59.02 -19.17 41.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.63 41.7 99.78 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.817 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -95.81 -2.26 47.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.813 0.306 . . . . 0.0 111.249 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.74 8.48 55.75 Favored Glycine 0 N--CA 1.468 0.772 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 12.6 p -141.48 169.78 16.96 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.9 mt -119.56 142.98 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.471 ' CG2' ' N ' ' A' ' 29' ' ' THR . 96.4 m -127.97 165.22 20.68 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.065 0.459 . . . . 0.0 111.226 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.645 ' HG1' ' N ' ' A' ' 30' ' ' LYS . 40.2 p -54.5 -44.11 72.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.579 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.645 ' N ' ' HG1' ' A' ' 29' ' ' THR . 98.9 mttt -67.6 -41.81 83.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.85 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD2' ' A' ' 22' ' ' ASP . 55.7 mt-10 -60.2 -63.33 1.34 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.171 0.51 . . . . 0.0 109.989 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD21 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -61.85 -44.42 96.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.559 179.079 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' N ' HD21 ' A' ' 32' ' ' LEU . . . -53.28 -43.55 64.65 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -178.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.4 m -60.85 -47.24 87.25 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.52 -40.68 79.57 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 CA-C-O 120.656 0.265 . . . . 0.0 111.012 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 40.5 mtp -65.59 -38.75 90.38 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.298 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -73.22 -50.85 20.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.776 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -51.06 -32.2 21.2 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.785 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.16 -13.17 62.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.73 24.37 38.93 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 112.147 -0.381 . . . . 0.0 112.147 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -91.58 144.35 25.63 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.999 0.4 . . . . 0.0 110.651 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -42.76 153.85 0.31 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.464 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.75 125.19 14.93 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.353 2.035 . . . . 0.0 111.633 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.428 ' OG1' ' OE1' ' A' ' 47' ' ' GLU . 10.5 t -156.98 14.48 0.27 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.442 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -55.32 -19.06 7.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.207 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.84 -44.18 50.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.153 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.428 ' OE1' ' OG1' ' A' ' 44' ' ' THR . 86.0 mt-10 -54.83 -50.53 68.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.103 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.27 -51.0 70.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.212 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -44.87 -44.25 9.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.735 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -71.37 -38.42 71.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.027 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.6 mmt -70.45 -48.28 56.64 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.418 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.1 mt -61.1 -42.92 95.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -58.37 -16.31 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 56' ' ' ASP . 41.1 tt0 -97.83 -59.83 1.69 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.565 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.2 m -62.46 4.72 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 10.8 t0 -79.7 121.71 25.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.679 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.39 -48.01 62.49 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.243 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -90.74 -8.2 50.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.422 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 75.27 25.41 68.53 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.064 -1.215 . . . . 0.0 110.064 -179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -79.92 -10.63 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 0.0 110.551 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.558 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 80.04 18.25 72.65 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.1 p -132.03 158.45 41.51 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.896 0.379 . . . . 0.0 111.011 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.7 mm -104.66 120.03 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.294 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -81.69 176.3 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.196 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -52.8 -61.56 4.56 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.977 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 15.5 Cg_endo -55.45 -48.16 22.0 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.529 2.153 . . . . 0.0 113.229 -176.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -54.98 -47.0 75.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.089 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.64 -64.39 0.96 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.13 0.491 . . . . 0.0 110.755 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tt -46.04 -26.8 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.575 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -85.01 -71.68 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 ptp -50.93 -17.82 0.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.618 -178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 72' ' ' MET . 2.7 ppp? -86.75 -28.59 22.94 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.72 17.28 0.72 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.527 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -84.34 8.81 14.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.957 0.408 . . . . 0.0 110.468 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -61.61 -171.03 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.029 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.6 mmm -82.24 -45.45 15.01 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.402 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.813 -1.089 . . . . 0.0 109.598 -179.702 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 71.9 p 41.4 76.04 0.08 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.923 0.392 . . . . 0.0 110.486 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.84 114.26 0.6 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.01 99.18 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.74 89.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -42.69 99.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.53 0.681 . . . . 0.0 109.957 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.0 m -55.13 -44.15 74.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.157 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -68.28 -46.81 69.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.52 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -61.18 -46.92 88.49 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.478 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.32 90.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.703 0.287 . . . . 0.0 111.197 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.85 96.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.901 0.381 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.42 -44.12 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.59 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -60.72 -48.96 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.78 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.6 85.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.579 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.0 98.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 110.148 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -45.17 91.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.625 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.74 -41.6 97.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.81 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.5 -46.02 91.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.436 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.05 -43.4 98.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.447 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -52.4 64.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -178.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 80.8 mtp -67.66 -36.71 81.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.042 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.06 11.77 66.91 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 11.2 p -77.38 162.97 26.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.806 0.336 . . . . 0.0 110.678 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.796 179.885 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -68.66 137.52 54.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.25 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -96.34 145.35 25.68 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.314 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.418 ' HG ' ' H ' ' A' ' 5' ' ' THR . 1.5 tp -56.0 175.6 0.09 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.783 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.536 ' HG1' ' N ' ' A' ' 6' ' ' GLU . 6.3 t -174.04 171.88 3.5 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.76 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.536 ' N ' ' HG1' ' A' ' 5' ' ' THR . 80.2 tt0 -53.9 -50.12 67.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.186 0.517 . . . . 0.0 109.958 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -44.94 -58.97 2.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.261 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -44.41 -59.42 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.7 pt -58.22 -49.99 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.728 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.63 -33.4 68.22 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -63.93 -45.5 88.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.091 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -61.93 -42.5 99.17 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.14 -179.426 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' C ' ' CD ' ' A' ' 13' ' ' LYS . 3.0 tmtt? -60.55 -46.98 88.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.255 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -55.63 -56.62 18.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.329 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.27 -46.46 76.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.935 0.397 . . . . 0.0 110.43 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.85 -50.4 72.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.992 178.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.3 t -58.34 -36.62 73.7 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.35 -43.19 95.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.373 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.8 m-85 -69.01 -50.58 47.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.783 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.524 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 36.4 t0 -60.83 82.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.63 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.1 mmmt -66.55 -54.01 28.44 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.532 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 21.4 p-10 -60.84 -18.83 58.07 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -178.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 65.54 42.7 95.52 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.233 178.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' OD1' ' OG1' ' A' ' 26' ' ' THR . 33.7 p-10 -99.65 2.16 44.2 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.847 0.323 . . . . 0.0 111.179 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.524 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 91.49 11.55 60.7 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.4 ' OG1' ' OD1' ' A' ' 24' ' ' ASP . 0.8 OUTLIER -144.25 158.52 43.69 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -110.42 134.58 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 29' ' ' THR . 95.2 m -113.35 164.71 13.23 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.189 0.518 . . . . 0.0 111.501 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.469 ' N ' ' CG2' ' A' ' 28' ' ' THR . 31.7 p -57.05 -45.84 82.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.43 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.419 ' H ' HG22 ' A' ' 28' ' ' THR . 51.0 mtpt -68.81 -43.64 75.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.77 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.428 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 85.1 mt-10 -53.91 -54.89 32.4 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.16 -46.58 89.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.639 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.54 -44.88 37.59 Favored Glycine 0 CA--C 1.518 0.225 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.0 m -59.51 -46.96 87.33 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.38 -41.97 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-O 120.818 0.342 . . . . 0.0 110.719 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 60.0 mmm -66.63 -39.71 88.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.508 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -74.3 -52.58 11.85 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.6 m -50.52 -25.92 4.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.774 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 mt -88.0 -18.03 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.26 14.19 31.28 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.459 ' HG3' ' H ' ' A' ' 42' ' ' ASN . 21.1 tp60 -92.79 174.97 6.98 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.893 0.378 . . . . 0.0 110.794 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.459 ' H ' ' HG3' ' A' ' 41' ' ' GLN . 6.2 p30 -36.68 104.0 0.26 Allowed Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.364 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.68 -16.86 23.61 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.355 2.037 . . . . 0.0 112.09 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.436 ' OG1' ' OE1' ' A' ' 47' ' ' GLU . 63.1 p -51.8 105.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.672 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 48' ' ' LEU . 68.2 tt0 -72.58 -55.76 6.4 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.397 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -38.44 -36.98 0.27 Allowed 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.465 0.65 . . . . 0.0 109.438 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' OE1' ' OG1' ' A' ' 44' ' ' THR . 85.1 tt0 -60.25 -53.06 62.14 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.481 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' A' ' 45' ' ' GLU . 7.3 mp -59.88 -51.97 67.44 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -46.79 -26.22 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.421 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -79.4 -41.13 28.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.256 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.4 mtt -61.37 -48.41 81.37 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.694 0.283 . . . . 0.0 110.836 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mt -66.13 -43.91 91.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.473 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 95.1 m-20 -65.36 -27.24 68.43 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.892 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -79.99 -48.88 12.65 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.268 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.5 m -71.11 -26.26 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.473 ' OD1' ' O ' ' A' ' 53' ' ' ASN . 51.9 p-10 -86.84 74.21 9.82 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.924 0.392 . . . . 0.0 110.927 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.79 -45.62 20.59 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.767 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.58 -4.77 28.88 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.14 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.45 78.9 1.01 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 30.3 p30 -114.61 -22.67 9.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.446 -0.377 . . . . 0.0 111.344 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.667 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 41.59 102.41 0.01 OUTLIER Glycine 0 C--N 1.344 1.014 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.667 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 23.3 p 96.91 166.06 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 124.49 0.759 . . . . 0.0 110.803 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.4 mm -109.69 119.18 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.009 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -86.38 177.21 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.181 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -54.18 -52.8 65.54 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.31 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 21.2 Cg_endo -60.34 -54.23 2.32 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.34 2.027 . . . . 0.0 113.597 -177.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -50.78 -50.09 56.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -60.49 -48.09 83.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.426 0.632 . . . . 0.0 110.627 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.87 -25.57 56.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.589 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.6 m -86.91 -70.0 0.64 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.5 ptp -46.91 -18.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.591 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.424 ' C ' ' SD ' ' A' ' 72' ' ' MET . 3.8 ppp? -86.6 -27.42 23.88 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.847 0.356 . . . . 0.0 111.43 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.5 16.63 3.04 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.565 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -101.12 3.43 41.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.952 0.406 . . . . 0.0 110.432 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -126.65 129.66 48.93 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.704 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 78.2 mtm -100.35 108.94 21.09 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.557 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.25 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.25 -43.7 0.29 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 122.768 -0.254 . . . . 0.0 110.433 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.18 11.09 60.21 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.68 -45.86 92.55 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.42 96.61 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.63 -40.87 97.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.246 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.3 t -60.09 -45.13 93.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.228 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -63.79 -45.78 88.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.564 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.99 -42.78 94.23 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.41 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.64 91.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.173 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.86 95.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 110.7 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -44.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.395 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.27 -49.09 77.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.79 91.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.696 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.37 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.981 0.42 . . . . 0.0 110.018 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -62.63 -44.29 96.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.728 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.2 -42.22 99.29 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.51 89.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.523 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.66 -43.08 97.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.384 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.21 -44.65 96.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 93.8 mtp -67.86 -37.56 82.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.031 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.12 8.76 86.97 Favored Glycine 0 CA--C 1.532 1.109 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' B' ' 67' ' ' SER . 8.0 t 55.28 53.47 9.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.09 0.472 . . . . 0.0 110.404 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.864 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 53.26 173.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.489 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.463 ' O ' ' O ' ' A' ' 4' ' ' LEU . 6.2 pt20 -147.69 94.23 2.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.424 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 3' ' ' GLN . 1.7 tp 42.73 -171.6 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.566 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.415 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 3.8 t 179.99 179.05 0.56 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.354 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' N ' ' OG1' ' A' ' 5' ' ' THR . 79.1 tt0 -62.51 -44.21 96.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.083 0.468 . . . . 0.0 110.311 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.25 -61.0 1.97 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.232 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' NE2' ' SD ' ' A' ' 72' ' ' MET . 13.7 mm100 -46.95 -61.4 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.8 pt -54.73 -49.28 69.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 119.596 -0.842 . . . . 0.0 110.606 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.8 84.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.051 0.453 . . . . 0.0 110.261 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -57.02 -49.54 75.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.111 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -46.19 90.87 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.013 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -56.72 -43.76 80.93 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 123.401 0.438 . . . . 0.0 110.696 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.28 -56.79 9.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.79 -39.71 78.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.914 0.387 . . . . 0.0 110.386 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.66 -53.59 55.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.8 t -67.34 -21.88 65.62 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.411 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.8 mt -74.18 -43.9 55.48 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 21' ' ' LYS . 35.7 m-85 -71.89 -58.54 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.639 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.0 t0 -52.66 84.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.439 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.9 mmtp -60.41 -53.5 56.84 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.451 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 55.3 p30 -64.96 -15.97 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.127 0.489 . . . . 0.0 109.893 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 57.35 42.49 93.68 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.438 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -82.64 -14.68 54.29 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.988 0.394 . . . . 0.0 111.111 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.23 -12.54 14.19 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 p -127.18 159.21 34.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.735 0.303 . . . . 0.0 110.209 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.08 138.55 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.533 ' CG2' ' H ' ' A' ' 29' ' ' THR . 46.6 m -123.33 173.57 7.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.176 0.512 . . . . 0.0 111.41 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.533 ' H ' ' CG2' ' A' ' 28' ' ' THR . 77.3 p -66.47 -39.02 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.446 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' A' ' 34' ' ' THR . 99.0 mttt -72.19 -42.64 65.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.912 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -59.08 -58.25 9.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.056 0.455 . . . . 0.0 109.835 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.349 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.75 -38.76 54.06 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 19.8 m -60.88 -50.37 73.69 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.1 t -62.54 -41.37 91.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-O 121.088 0.471 . . . . 0.0 111.033 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.6 mtp -67.78 -45.45 74.78 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.613 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -66.3 -50.73 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -56.45 -22.41 31.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.7 mt -87.37 -17.82 31.46 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.09 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.91 5.31 47.56 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -75.5 157.52 33.88 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.57 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 44' ' ' THR . 1.9 m120 -34.48 96.51 0.1 Allowed Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.472 -178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.564 ' O ' ' N ' ' A' ' 45' ' ' GLU . 31.8 Cg_exo -56.0 -8.75 2.53 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.401 2.067 . . . . 0.0 111.87 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.509 ' C ' ' H ' ' A' ' 46' ' ' ALA . 24.0 p -48.39 83.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.283 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' PRO . 17.5 pt-20 -57.22 -7.68 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.332 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 44' ' ' THR . . . -81.36 -38.99 25.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.284 178.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -58.51 -44.41 89.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.73 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.535 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 6.3 mp -66.08 -54.1 29.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.752 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 76.7 mt-30 -47.36 -37.72 11.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.541 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.8 -43.27 55.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.341 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.0 mmt -64.43 -45.66 86.56 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.917 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.9 mt -66.3 -41.97 89.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 49' ' ' GLN . 77.0 m-20 -56.27 -39.24 72.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -78.56 -44.96 22.92 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.782 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.8 -43.89 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.784 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.582 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 36.3 t0 -45.59 122.21 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.717 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.29 -33.9 20.5 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.101 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -86.87 -7.94 57.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.589 0.233 . . . . 0.0 111.39 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.72 24.81 71.46 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.582 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 45.7 p-10 -84.6 -21.36 30.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.62 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.72 -5.57 54.2 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.9 p -127.69 163.6 23.94 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.667 0.27 . . . . 0.0 110.752 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.2 mm -107.02 116.81 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.324 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.44 179.62 1.6 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.026 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.669 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -73.25 -52.92 5.06 Favored Pre-proline 0 C--O 1.245 0.816 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.14 -179.249 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 37.9 Cg_endo -65.53 -33.37 46.38 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.791 1.661 . . . . 0.0 112.593 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -60.74 -53.65 54.78 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.601 -0.44 . . . . 0.0 112.008 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -58.6 -53.62 56.26 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 121.629 0.728 . . . . 0.0 110.157 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' ALA . 4.3 tt -63.37 -41.66 98.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.626 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 2.0 m -46.74 -62.03 1.57 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.63 ' HG3' ' H ' ' A' ' 72' ' ' MET . 4.0 ptp -58.57 -68.8 0.23 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.504 -1.278 . . . . 0.0 109.45 -177.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.63 ' H ' ' HG3' ' A' ' 71' ' ' MET . 2.8 ppp? -48.13 -23.01 0.72 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.317 0.579 . . . . 0.0 109.903 -177.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 69' ' ' LEU . . . -136.49 66.22 1.49 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.762 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' THR . 1.8 mtt-85 -58.33 -63.36 1.3 Allowed 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.855 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.35 163.59 15.29 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.556 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.424 ' CG ' ' H ' ' A' ' 77' ' ' LYS . 1.1 tpt 75.4 -151.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.663 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.424 ' H ' ' CG ' ' A' ' 76' ' ' MET . 68.7 mttm . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.26 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.487 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 42.5 p -66.24 -31.66 72.61 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.65 -29.12 1.17 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.68 89.07 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.75 91.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.772 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.89 -42.71 99.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.259 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -59.56 -45.13 92.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.228 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -65.88 -44.11 86.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.637 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -64.44 -41.37 96.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.024 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.89 96.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.187 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.35 -41.88 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.48 -43.73 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -59.5 -48.77 80.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.766 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.04 87.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.677 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.11 95.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.045 0.45 . . . . 0.0 110.112 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -63.78 -44.92 91.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.37 -40.2 96.61 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.9 92.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.46 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -63.2 -47.11 83.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.84 -43.31 88.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.5 mmm -68.35 -37.25 80.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.036 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' B' ' 67' ' ' SER . . . 88.03 12.67 65.53 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 66' ' ' GLY . 27.6 t 53.21 168.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.39 . . . . 0.0 110.989 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.713 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 3' ' ' GLN . 64.5 t0 -62.7 135.57 57.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.925 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.45 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 15.0 pt20 -148.27 158.25 43.98 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.471 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 1.4 tp 78.01 179.64 0.13 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.407 HG22 ' H ' ' A' ' 8' ' ' GLN . 7.2 t -171.9 168.48 6.0 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.631 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 43.2 tt0 -52.61 -51.41 60.06 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 121.577 0.704 . . . . 0.0 110.131 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -45.73 -58.14 3.71 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.407 ' H ' HG22 ' A' ' 5' ' ' THR . 1.8 tp-100 -42.65 -54.76 3.86 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -176.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.0 pt -60.76 -48.28 89.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.695 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.48 84.78 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -55.55 -42.09 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.191 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.77 -44.29 96.57 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -62.23 -45.62 92.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.32 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -54.03 -51.98 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.94 -44.16 86.78 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.154 0.502 . . . . 0.0 110.371 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -50.05 75.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.829 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.4 t -57.28 -36.01 70.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.304 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.22 -44.53 95.03 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.394 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 56.1 m-85 -73.88 -39.41 63.94 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.608 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 65.3 t0 -66.69 62.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.07 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.3 mmmt -55.92 -45.93 78.6 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.17 -16.79 35.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 55.49 35.72 62.22 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.895 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -98.5 -11.28 22.44 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.966 0.383 . . . . 0.0 111.364 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.12 7.44 30.82 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.71 151.47 40.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -107.34 128.77 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.568 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 5.3 t -115.81 173.32 6.62 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.061 0.457 . . . . 0.0 110.995 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -55.58 -41.77 73.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.805 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' H ' HG22 ' A' ' 28' ' ' THR . 59.5 mttp -67.32 -42.19 84.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.768 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' THR . 14.8 mt-10 -57.85 -64.71 0.81 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.933 0.397 . . . . 0.0 110.092 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.97 -49.0 76.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.699 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.75 -45.64 24.57 Favored Glycine 0 CA--C 1.519 0.3 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.7 m -60.22 -48.92 79.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.63 -40.25 85.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.1 mmm -65.25 -41.01 94.74 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.303 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -75.62 -49.37 18.68 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.88 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.4 m -50.48 -20.11 1.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.56 -9.98 59.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.184 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.55 30.93 23.07 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.254 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -94.49 136.69 34.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.98 0.419 . . . . 0.0 110.686 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.438 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.9 p30 -46.93 155.59 0.61 Allowed Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.283 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -46.97 123.89 8.0 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.098 1.866 . . . . 0.0 112.212 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -167.13 16.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.12 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -70.57 -14.82 62.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.346 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.2 -43.43 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.241 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -55.7 -45.99 77.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.483 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -63.6 -47.07 82.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.745 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -48.54 -47.07 39.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.747 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -70.23 -36.5 74.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.209 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.3 mmt -67.94 -43.3 79.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.123 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.2 mt -62.53 -43.41 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -64.3 -35.51 81.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -73.74 -55.28 6.44 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.867 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.3 m -63.88 -20.02 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.574 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 19.8 t70 -53.04 135.95 36.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 110.467 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.18 -45.1 70.82 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.431 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -101.02 9.32 42.34 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 111.552 0.205 . . . . 0.0 111.552 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 61.93 20.43 60.01 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.421 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 19.7 t-20 -91.08 -18.6 24.29 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.588 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.727 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 90.72 154.79 30.73 Favored Glycine 0 C--O 1.221 -0.697 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.727 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 38.3 p 100.38 140.85 0.01 OUTLIER 'General case' 0 C--N 1.349 0.573 0 O-C-N 124.726 0.897 . . . . 0.0 110.971 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.8 mm -111.93 134.9 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -99.55 173.83 6.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.993 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.498 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -53.63 -53.46 56.93 Favored Pre-proline 0 CA--C 1.545 0.768 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.391 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 29.1 Cg_endo -62.78 -51.13 3.29 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.205 1.936 . . . . 0.0 112.942 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -59.38 -38.89 81.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.405 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 19.6 t80 -58.62 -47.99 82.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.546 0.689 . . . . 0.0 109.958 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.29 -48.52 81.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.1 m -58.04 -49.85 75.47 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.661 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.7 ptp -64.38 -22.21 66.88 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.787 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -85.49 -28.4 25.02 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.093 0.473 . . . . 0.0 110.706 179.207 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.23 24.98 0.75 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.444 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -77.3 -1.06 27.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 77' ' ' LYS . 75.0 tttt -89.09 32.71 0.81 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.506 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 78.2 mtm 48.07 -89.09 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.555 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 75' ' ' LYS . 22.6 pttp . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.456 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 72.4 p -133.72 161.69 34.01 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.969 0.414 . . . . 0.0 110.347 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.02 -14.38 60.77 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.41 93.95 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.38 99.35 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.012 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.51 -41.16 98.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.248 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 66.6 m -58.98 -45.12 91.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.426 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -64.37 -45.41 87.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.462 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.35 -40.4 95.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.365 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.29 93.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.611 0.243 . . . . 0.0 111.082 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.32 94.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.29 -43.61 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.98 -47.39 86.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.783 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.16 82.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.79 96.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 0.0 110.044 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -65.03 -41.04 95.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.892 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.01 -44.25 93.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.951 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.38 -41.21 93.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.432 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.47 -45.27 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.608 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.3 -45.35 93.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 3.5 tpt -67.77 -37.77 82.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.821 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.21 6.11 71.86 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 85.3 p -77.61 159.9 28.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.946 0.373 . . . . 0.0 110.736 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.706 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -50.76 -55.12 18.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 110.099 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' OE2' ' OE1' ' A' ' 11' ' ' GLU . 47.3 tp10 -44.5 -56.51 4.24 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -45.53 -59.61 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 pt -57.24 -49.0 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.402 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.48 73.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.06 0.457 . . . . 0.0 109.811 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' OE1' ' OE2' ' A' ' 7' ' ' GLU . 27.8 tp10 -62.35 -45.39 93.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.963 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.518 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.05 -44.24 97.11 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.418 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' C ' ' CD ' ' A' ' 13' ' ' LYS . 4.7 tmtt? -61.66 -46.9 87.75 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.171 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -56.89 -55.72 30.82 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.524 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -56.2 -44.26 79.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.998 0.428 . . . . 0.0 110.42 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -50.76 72.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.834 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -57.05 -36.0 69.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.949 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.83 -43.37 88.77 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.464 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' LYS . 60.5 m-85 -68.96 -50.36 49.83 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.719 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 39.2 t0 -60.12 78.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.69 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.4 mmmt -64.34 -53.25 51.67 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.4 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 52.0 p-10 -61.75 -17.15 54.83 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.647 -0.421 . . . . 0.0 109.954 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 62.62 41.59 99.79 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.946 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -92.7 -5.15 51.95 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 117.044 0.422 . . . . 0.0 110.946 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.47 ' O ' ' CE2' ' A' ' 65' ' ' PHE . . . 100.52 0.98 55.48 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -139.92 160.73 39.26 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.9 mt -107.66 142.01 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.599 HG22 ' N ' ' A' ' 29' ' ' THR . 97.6 m -125.29 163.95 21.42 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.148 0.499 . . . . 0.0 110.941 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.599 ' N ' HG22 ' A' ' 28' ' ' THR . 37.6 p -55.37 -45.29 76.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.554 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.27 -42.12 88.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.823 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -58.01 -58.74 7.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.0 0.429 . . . . 0.0 110.088 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.436 HD22 ' CH2' ' B' ' 52' ' ' TRP . 47.5 tp -62.32 -48.19 80.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.34 -44.75 28.14 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.9 m -60.65 -47.23 87.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.35 -41.2 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 CA-C-O 120.859 0.361 . . . . 0.0 110.705 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtp -64.95 -38.73 91.92 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.24 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -73.37 -50.66 20.76 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.045 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.3 t -53.31 -32.32 48.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.891 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.3 mt -74.34 -17.82 60.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.298 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.31 18.07 53.9 Favored Glycine 0 N--CA 1.463 0.443 0 N-CA-C 111.748 -0.541 . . . . 0.0 111.748 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -101.69 173.04 6.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.695 0.283 . . . . 0.0 111.019 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -36.22 101.1 0.21 Allowed Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.292 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' O ' ' N ' ' A' ' 45' ' ' GLU . 57.6 Cg_endo -77.63 18.02 0.88 Allowed 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.328 2.018 . . . . 0.0 112.178 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 t -60.46 71.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.366 0.603 . . . . 0.0 111.01 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 43' ' ' PRO . 67.4 tt0 -62.11 -11.72 15.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.496 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.09 -42.99 30.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.697 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -58.98 -45.2 91.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.644 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -63.84 -52.63 59.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.998 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -47.4 -38.43 13.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -75.18 -41.1 58.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.2 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.568 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 17.6 mmt -66.8 -44.32 81.58 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.14 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.465 HD12 HG22 ' A' ' 29' ' ' THR . 36.8 mt -63.42 -43.06 98.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -53.57 -19.55 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.758 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -92.84 -60.44 1.81 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.601 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.7 m -63.54 -21.69 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 40.2 p-10 -51.39 109.53 0.35 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.906 0.384 . . . . 0.0 110.665 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -50.65 64.1 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.116 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -81.7 -18.71 43.44 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.617 0.246 . . . . 0.0 111.412 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.16 19.73 68.92 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -81.1 -9.85 59.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.366 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.05 19.62 58.92 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.7 p -132.82 156.67 46.71 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 110.714 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 52' ' ' ILE . 27.2 mm -106.98 122.34 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.297 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -82.0 171.01 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.302 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -52.79 -52.74 61.77 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.31 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 20.6 Cg_endo -58.25 -48.58 15.22 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 122.111 1.874 . . . . 0.0 113.494 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -53.51 -51.87 61.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.218 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.31 -47.78 82.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.241 0.544 . . . . 0.0 110.399 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD12 ' CD2' ' A' ' 12' ' ' PHE . 3.4 tt -59.11 -27.15 65.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.668 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.328 -0.361 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -179.683 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.568 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.49 93.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 110.963 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.77 -43.32 99.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.385 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' B' ' 48' ' ' ALA . 79.3 p -61.77 -42.76 99.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.209 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' TRP . . . . . 0.436 ' CH2' HD22 ' A' ' 32' ' ' LEU . 13.0 m95 -64.26 -47.78 78.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -66.88 -40.33 87.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.475 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.39 98.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.115 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.19 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.732 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.04 -43.86 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -62.61 -45.64 91.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.461 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.65 -38.15 80.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 110.502 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.66 80.79 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.195 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -65.35 -36.55 84.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.583 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -55.9 -45.68 78.59 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.2 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.157 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -61.26 -46.88 88.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.28 -42.84 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.794 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.6 mmm -67.73 -37.33 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.877 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.858 179.549 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 6' ' ' GLU . 4.7 m . . . . . 0 CA--C 1.529 0.173 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.419 ' N ' HG22 ' A' ' 5' ' ' THR . 83.9 tt0 -54.69 -52.47 62.28 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 121.291 0.567 . . . . 0.0 110.406 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.443 ' HG3' ' H ' ' A' ' 8' ' ' GLN . 4.9 pt-20 -45.01 -55.28 5.69 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.443 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 87.9 mm-40 -45.79 -59.01 3.03 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 ' H ' ' A' ' 9' ' ' ILE . 9.6 pt -56.69 -47.71 82.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.499 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.99 89.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.958 0.409 . . . . 0.0 110.127 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -57.0 -45.15 83.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.51 -44.14 97.11 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -43.52 95.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.72 -55.09 33.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.3 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.66 -42.12 74.61 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.028 0.442 . . . . 0.0 110.377 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -50.03 74.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 t -57.29 -34.28 68.52 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.088 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.71 -42.63 81.66 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.528 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.6 m-85 -72.22 -52.98 13.94 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.892 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 39.7 t0 -56.22 85.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.672 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -65.94 -54.22 29.1 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.573 -179.649 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 31.3 p-10 -63.52 -17.03 62.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.57 42.22 99.72 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.009 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 24.4 p-10 -93.08 -0.76 56.99 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 117.199 0.5 . . . . 0.0 111.128 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.56 4.98 56.99 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.494 -0.643 . . . . 0.0 111.494 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 1.7 p -142.34 163.91 31.57 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -112.78 136.78 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.603 HG22 ' N ' ' A' ' 29' ' ' THR . 62.8 m -114.0 166.2 11.85 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.87 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.603 ' N ' HG22 ' A' ' 28' ' ' THR . 43.9 p -61.61 -44.3 97.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.473 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -67.37 -41.49 84.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -56.12 -57.47 12.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.832 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.75 -47.32 85.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.825 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.65 -44.12 29.61 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -61.52 -46.4 90.1 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.44 -38.38 81.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.479 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 58.6 mmm -66.71 -47.5 72.15 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.367 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -67.8 -48.57 65.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.915 0.388 . . . . 0.0 110.504 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.1 m -54.16 -22.74 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.568 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.8 mt -93.35 -16.69 24.38 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.976 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.22 5.65 57.07 Favored Glycine 0 N--CA 1.467 0.706 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -75.02 152.37 38.7 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 43' ' ' PRO . 8.2 t-20 -35.29 98.98 0.16 Allowed Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.369 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.463 ' O ' ' O ' ' A' ' 42' ' ' ASN . 36.0 Cg_exo -55.1 -143.18 0.0 OUTLIER 'Trans proline' 0 N--CA 1.501 1.935 0 C-N-CA 122.675 2.25 . . . . 0.0 112.308 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m 71.58 113.56 0.06 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.67 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' ALA . 11.0 pt-20 -82.04 -45.77 14.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.255 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -39.47 -41.85 1.03 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -58.59 -59.47 5.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.668 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.508 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.2 mm? -60.33 -51.27 70.25 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.798 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -47.39 -29.48 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.341 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -80.33 -41.6 24.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.431 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.529 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 25.0 mmt -67.63 -44.19 78.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.592 HG22 ' OD2' ' A' ' 56' ' ' ASP . 34.7 mt -64.71 -43.42 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.876 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -53.06 -30.51 36.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.761 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -73.98 -53.88 9.11 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.455 HG22 ' H ' ' A' ' 55' ' ' VAL . 5.0 m -69.92 -25.01 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.592 ' OD2' HG22 ' A' ' 52' ' ' ILE . 75.9 m-20 -50.38 116.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.03 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.56 -43.5 72.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.82 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -99.97 -0.09 40.05 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.674 0.273 . . . . 0.0 111.262 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.16 23.93 74.68 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -72.02 -22.93 61.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.227 0.536 . . . . 0.0 110.439 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.19 16.9 42.09 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.5 p -136.24 158.39 44.53 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.682 0.277 . . . . 0.0 110.889 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.519 HD11 HG23 ' A' ' 52' ' ' ILE . 24.9 mm -103.98 120.6 54.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.044 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -82.49 176.02 9.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.353 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.459 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.3 m-85 -50.88 -65.74 0.84 Allowed Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.082 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.9 Cg_endo -57.25 -45.38 35.49 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.527 2.151 . . . . 0.0 113.322 -178.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -48.37 -54.9 12.26 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.23 -47.07 87.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.09 0.471 . . . . 0.0 110.7 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 12' ' ' PHE . 3.0 tt -58.62 -27.46 64.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.742 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 C--N 1.328 -0.331 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.671 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.529 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--O 1.235 0.295 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.6 99.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.943 0.402 . . . . 0.0 110.909 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.563 ' O ' HD13 ' B' ' 50' ' ' LEU . 0.2 OUTLIER -63.33 -41.93 98.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.781 -179.638 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.6 t -57.32 -45.74 83.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.007 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -69.5 -45.41 68.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.954 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -61.82 -47.66 84.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.433 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.159 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.479 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -63.93 -45.79 87.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.956 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.39 -44.67 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.16 -45.62 87.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.65 78.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.693 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.63 77.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.174 0.511 . . . . 0.0 110.001 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -65.14 -40.95 95.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.663 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -52.72 -42.89 65.28 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.12 83.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.168 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -61.85 -47.42 85.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.503 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 49.5 tp -62.77 -46.38 88.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 4.1 mmt -69.1 -36.89 78.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.077 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.803 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 179.64 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 8' ' ' GLN . 5.1 t . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.629 0.252 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 77.8 tt0 -53.98 -55.2 29.36 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 121.56 0.695 . . . . 0.0 110.211 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -43.75 -57.94 2.96 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.545 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.405 ' H ' HG23 ' A' ' 5' ' ' THR . 31.8 tp60 -43.65 -61.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.43 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.6 pt -53.14 -49.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.023 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.412 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -60.37 -40.28 90.26 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.126 0.489 . . . . 0.0 109.928 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -56.87 -47.92 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.132 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.79 -39.91 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.375 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.15 -43.09 82.15 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.918 0.389 . . . . 0.0 110.189 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.41 -56.94 10.92 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.097 0.475 . . . . 0.0 109.882 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -54.62 -37.82 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.027 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -52.13 67.07 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.343 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.4 m -57.01 -30.2 63.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.629 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.6 mt -72.37 -44.64 62.26 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.807 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 52.0 m-85 -68.89 -55.1 12.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.658 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.486 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 31.8 t0 -55.66 85.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.503 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 19' ' ' PHE . 30.5 mmtt -64.11 -57.75 8.68 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.733 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 9.1 p30 -61.1 -18.02 55.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.962 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 64.29 44.58 95.28 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.822 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 24.3 p-10 -92.75 -5.05 52.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.898 0.349 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 100.03 5.65 54.64 Favored Glycine 0 N--CA 1.466 0.674 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.408 ' HG1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p -138.43 172.19 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.222 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.4 mt -127.47 150.19 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.659 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' A' ' 31' ' ' GLU . 6.1 t -143.48 178.4 7.79 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.005 0.431 . . . . 0.0 111.089 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.461 HG22 HD12 ' A' ' 52' ' ' ILE . 52.4 p -58.05 -44.1 87.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.968 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.428 ' H ' HG23 ' A' ' 28' ' ' THR . 59.7 mttp -65.15 -44.71 87.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.022 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HB2' ' H ' ' A' ' 28' ' ' THR . 26.4 mt-10 -60.52 -62.28 1.98 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.966 0.413 . . . . 0.0 110.013 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.99 -48.45 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.821 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.79 -43.93 30.43 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.3 m -59.69 -50.53 73.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.7 t -59.22 -42.75 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.587 0.232 . . . . 0.0 111.02 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 39.2 mtp -66.65 -41.1 88.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.82 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -68.77 -53.02 24.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.551 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.1 m -48.99 -31.71 7.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.745 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.0 mt -74.57 -16.8 60.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.86 21.18 10.48 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 112.146 -0.382 . . . . 0.0 112.146 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -80.15 117.74 21.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.073 0.463 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.465 ' O ' HG23 ' A' ' 44' ' ' THR . 5.8 m120 -37.91 152.8 0.14 Allowed Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.541 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -41.72 104.02 0.05 OUTLIER 'Trans proline' 0 N--CA 1.487 1.137 0 C-N-CA 122.263 1.975 . . . . 0.0 111.661 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 42' ' ' ASN . 14.2 p -131.24 5.32 4.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.712 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -46.79 -24.75 0.62 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.402 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.95 -42.66 38.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.071 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -54.77 -46.19 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.487 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 48' ' ' LEU . 7.5 mp -59.8 -55.36 35.21 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.949 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -45.68 -42.44 11.61 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -76.7 -43.03 39.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.395 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.0 mmt -63.63 -48.32 77.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.101 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.461 HD12 HG22 ' A' ' 29' ' ' THR . 28.7 mt -63.55 -43.09 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 46.3 t-20 -50.79 -39.36 52.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.916 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -73.06 -51.84 16.57 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.694 0.283 . . . . 0.0 111.401 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 m -92.65 24.36 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.501 ' OD2' ' CA ' ' A' ' 59' ' ' GLY . 13.0 t70 -65.63 -32.72 74.44 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.088 0.47 . . . . 0.0 110.901 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.79 -65.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.7 t0 -73.03 -29.26 62.86 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.605 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.501 ' CA ' ' OD2' ' A' ' 56' ' ' ASP . . . 83.26 12.88 78.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.497 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 41.3 p30 -83.38 -16.78 44.62 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.876 0.37 . . . . 0.0 110.681 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.491 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 94.49 11.14 57.41 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.411 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 59.0 p -132.0 156.6 45.94 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.155 0.502 . . . . 0.0 111.176 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.434 HD11 HG23 ' A' ' 52' ' ' ILE . 26.0 mm -101.75 116.31 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.221 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -75.52 176.0 7.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.432 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 m-85 -51.28 -65.73 0.87 Allowed Pre-proline 0 C--O 1.239 0.552 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.295 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.8 Cg_endo -57.27 -47.19 23.49 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.56 2.174 . . . . 0.0 113.038 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -46.32 -52.18 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 30.2 t80 -61.91 -48.7 79.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.228 0.537 . . . . 0.0 110.387 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.06 -27.11 30.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.476 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 m . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.964 -178.829 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.2 97.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.951 0.405 . . . . 0.0 111.184 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.9 -40.01 95.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.25 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -59.68 -48.09 83.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.481 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -72.22 -46.46 56.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.437 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -60.33 -49.22 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.417 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.53 91.48 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.763 0.316 . . . . 0.0 111.178 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.9 96.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.957 0.408 . . . . 0.0 110.793 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.89 -43.85 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -61.03 -49.2 78.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.746 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.45 86.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.91 99.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.13 0.49 . . . . 0.0 109.985 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -66.29 -39.16 89.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.101 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -62.4 -41.66 98.84 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.07 -47.76 83.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.323 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -65.67 -35.69 81.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.539 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.05 -44.93 96.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.26 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 79.0 mtm -66.8 -36.58 82.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.978 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.742 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 7' ' ' GLU . 11.5 t . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.491 ' HA ' HD11 ' A' ' 9' ' ' ILE . 80.5 tt0 -61.49 -45.31 94.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.2 0.524 . . . . 0.0 110.568 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.449 ' H ' HG23 ' A' ' 5' ' ' THR . 75.1 tt0 -45.66 -62.03 1.46 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -47.23 -58.66 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 6' ' ' GLU . 5.5 pt -56.92 -50.87 74.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.688 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.13 77.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.176 0.512 . . . . 0.0 109.891 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -61.89 -45.67 92.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.085 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -64.55 -44.3 91.22 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.562 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -57.2 -44.51 83.74 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.393 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.82 -56.48 17.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -54.24 -47.31 72.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.284 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -55.94 -51.83 66.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.528 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 5.9 t -57.29 -36.14 70.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.66 -42.74 95.2 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.445 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 21' ' ' LYS . 61.9 m-85 -69.76 -51.64 32.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.871 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 35.4 t0 -61.07 76.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.54 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.0 mmmt -60.36 -52.66 64.29 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.314 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 22.6 p-10 -63.42 -17.24 62.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.992 0.425 . . . . 0.0 109.895 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 61.43 43.42 99.36 Favored Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.827 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -91.64 -3.23 56.59 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 117.008 0.404 . . . . 0.0 110.971 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . . . 99.9 6.89 53.81 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -144.41 173.33 11.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -121.37 139.08 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.648 HG22 ' N ' ' A' ' 29' ' ' THR . 86.0 m -119.24 168.24 11.08 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.016 0.436 . . . . 0.0 111.075 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.648 ' N ' HG22 ' A' ' 28' ' ' THR . 69.1 p -60.36 -43.11 96.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.556 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.62 -41.87 78.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.762 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -57.85 -59.09 5.77 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 tp -62.63 -48.4 79.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.797 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.55 -43.74 36.7 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -61.37 -46.5 89.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.8 t -61.81 -37.77 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.013 0.435 . . . . 0.0 110.759 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.3 mtp -65.92 -50.57 63.97 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.434 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -66.2 -47.82 72.64 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.182 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.2 p -51.12 -27.38 8.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.2 mt -82.01 -12.32 58.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.233 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 16.41 42.73 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.411 HE22 ' HA ' ' B' ' 55' ' ' ALA . 86.9 mt-30 -80.73 132.43 35.55 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.97 0.414 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -38.62 155.77 0.12 Allowed Pre-proline 0 N--CA 1.467 0.411 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.234 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.56 117.26 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.506 2.138 . . . . 0.0 111.585 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 t -150.79 11.67 0.67 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.356 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -55.46 -20.21 11.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.217 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.23 -42.31 55.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.224 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -57.33 -48.85 77.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.012 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.3 mm? -60.29 -51.02 71.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.682 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -45.84 -40.93 10.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.418 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -71.6 -39.84 70.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.992 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.454 ' O ' HG23 ' A' ' 55' ' ' VAL . 22.4 mtm -68.66 -45.29 72.13 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.77 0.319 . . . . 0.0 111.225 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.529 HD12 HG22 ' A' ' 29' ' ' THR . 75.3 mt -62.27 -42.66 96.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.437 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 33.4 t-20 -50.41 -26.38 4.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.683 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -98.15 -38.94 9.12 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.53 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 51' ' ' MET . 90.9 t -62.45 -44.58 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.629 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 10.2 t70 -47.91 129.18 14.32 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.856 0.36 . . . . 0.0 110.664 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.33 -42.06 60.06 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.026 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -95.67 1.63 53.63 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.459 0.171 . . . . 0.0 111.155 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.546 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 71.16 25.64 75.23 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -74.63 -22.18 59.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.966 0.412 . . . . 0.0 110.554 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.9 20.62 49.61 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.6 p -131.74 153.11 50.4 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.811 0.339 . . . . 0.0 110.792 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.403 HD11 HG23 ' A' ' 52' ' ' ILE . 26.4 mm -105.94 120.36 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.363 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -78.5 172.2 14.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.203 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.542 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -54.43 -52.33 70.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.352 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 21.3 Cg_endo -59.37 -51.71 5.96 Favored 'Trans proline' 0 N--CA 1.503 2.03 0 C-N-CA 122.359 2.04 . . . . 0.0 113.352 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -48.79 -50.35 34.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 31.6 t80 -61.3 -49.33 77.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.185 0.516 . . . . 0.0 110.71 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.414 HD12 ' CD2' ' A' ' 12' ' ' PHE . 2.8 tt -53.6 -27.48 26.95 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.34 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.7 m . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.711 -179.094 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.56 97.9 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 111.041 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.11 -40.78 98.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.145 0.497 . . . . 0.0 110.124 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 66.2 m -60.71 -45.37 94.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.244 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -70.26 -51.01 33.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.566 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.85 -45.63 88.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.444 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.07 92.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.026 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.411 ' HA ' HE22 ' A' ' 41' ' ' GLN . . . -64.98 -42.01 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.53 -43.58 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.67 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.74 -45.64 93.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.795 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.79 88.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.483 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.83 94.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.122 0.487 . . . . 0.0 109.989 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -63.25 -44.3 95.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.598 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -61.27 -39.95 92.28 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.94 -47.22 87.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.368 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -64.6 -40.78 96.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.309 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.634 HD23 ' O ' ' B' ' 64' ' ' LEU . 1.5 tt -62.32 -40.68 97.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.413 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 38.6 tpp -64.81 -24.18 67.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.876 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.801 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 179.312 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.562 HG22 ' N ' ' A' ' 6' ' ' GLU . 90.7 m . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 120.879 0.371 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.562 ' N ' HG22 ' A' ' 5' ' ' THR . 42.9 tp10 -50.81 -55.52 16.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.261 0.553 . . . . 0.0 110.484 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 8' ' ' GLN . 13.9 pt-20 -44.41 -55.93 4.63 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.996 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.508 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 96.0 mm-40 -43.07 -58.18 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.6 pt -57.87 -47.96 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.476 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.41 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -55.88 -48.3 75.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.989 -0.444 . . . . 0.0 110.014 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -53.4 -43.36 67.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.32 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.58 -44.24 96.8 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 110.294 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -65.63 -37.88 87.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.449 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.11 -56.33 13.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.422 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.55 -44.29 72.76 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.088 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.626 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -57.1 -51.74 68.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.713 179.333 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.549 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 54.5 m -54.01 -34.82 60.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.393 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.507 HD13 ' HB1' ' B' ' 59' ' ' ALA . 97.0 mt -66.73 -42.89 85.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.545 ' O ' ' N ' ' A' ' 21' ' ' LYS . 47.2 m-85 -73.92 -47.45 37.68 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.964 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 61.2 t0 -61.81 69.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.094 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.8 mmmt -56.18 -47.76 77.69 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.229 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.7 -18.37 59.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.11 38.56 61.35 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.782 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -92.74 -12.38 31.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 117.02 0.41 . . . . 0.0 111.234 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.64 1.26 23.03 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.7 p -142.52 154.58 44.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.308 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.63 126.8 52.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.554 HG22 ' N ' ' A' ' 29' ' ' THR . 61.9 m -108.15 163.18 13.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.025 0.44 . . . . 0.0 111.068 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.554 ' N ' HG22 ' A' ' 28' ' ' THR . 9.9 p -58.0 -38.24 75.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.62 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -72.59 -35.58 67.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.587 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 28' ' ' THR . 49.8 mt-10 -63.8 -64.41 0.9 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.194 0.521 . . . . 0.0 110.447 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.941 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.19 -38.52 89.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.79 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.941 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -58.51 -42.4 95.91 Favored Glycine 0 C--N 1.329 0.167 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.9 m -60.23 -45.58 92.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.4 t -59.11 -34.86 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 120.927 0.394 . . . . 0.0 110.719 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.619 ' HG3' HD21 ' A' ' 48' ' ' LEU . 38.5 mmt -66.77 -41.05 88.35 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.228 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -48.98 52.6 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.61 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.6 m -52.2 -25.37 9.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.589 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.1 mt -81.32 -16.95 50.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.79 27.35 9.69 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' OE1' ' SD ' ' A' ' 36' ' ' MET . 88.3 mt-30 -89.96 123.15 33.63 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.09 0.472 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -37.34 154.79 0.1 OUTLIER Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.507 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.39 132.91 41.5 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.921 1.747 . . . . 0.0 111.965 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.0 t -169.82 25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.338 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.4 -15.76 12.01 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.503 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.34 -40.66 26.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.341 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -61.57 -42.17 98.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.626 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.619 HD21 ' HG3' ' A' ' 36' ' ' MET . 5.5 mp -64.0 -53.04 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.985 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -49.39 -36.27 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.14 -43.97 77.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.21 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 55' ' ' VAL . 56.4 mtt -62.19 -50.4 71.95 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.048 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.89 -42.86 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.382 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -50.68 -31.4 16.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.736 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -101.0 -41.31 6.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.406 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 51' ' ' MET . 73.1 t -65.56 -43.31 94.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 67.5 t0 -41.07 134.35 2.05 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.963 0.411 . . . . 0.0 110.83 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . -69.82 -44.95 68.94 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.299 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -97.31 3.97 51.01 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.534 0.207 . . . . 0.0 111.365 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.84 24.55 62.66 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.529 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 94.8 m-20 -73.3 -22.02 60.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 0.0 110.452 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.71 -0.19 30.55 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 p -132.96 167.76 19.68 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.049 0.452 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.8 mt -111.7 134.92 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.221 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -87.38 174.5 8.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.734 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.626 ' CZ ' ' CZ ' ' A' ' 16' ' ' PHE . 4.4 m-85 -54.68 -66.19 1.04 Allowed Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.039 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 18.9 Cg_endo -56.23 -46.23 32.17 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.555 2.17 . . . . 0.0 113.017 -177.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -48.09 -50.33 28.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.14 -47.48 86.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.177 0.513 . . . . 0.0 110.282 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.557 HD12 ' CD2' ' A' ' 12' ' ' PHE . 1.2 tt -54.0 -27.63 32.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.658 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.3 m . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.06 0.457 . . . . 0.0 111.975 -179.101 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.96 90.15 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 111.26 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.91 -41.93 99.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.229 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.6 t -60.58 -45.71 92.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.339 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -68.48 -43.04 77.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.616 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.92 -50.12 74.7 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.35 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.77 85.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.694 0.283 . . . . 0.0 110.976 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.17 -45.84 91.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.983 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.28 -43.71 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.392 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.46 -45.71 93.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.75 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.79 -40.39 79.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ALA . . . . . 0.507 ' HB1' HD13 ' A' ' 18' ' ' LEU . . . -63.77 -40.37 96.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.64 -42.25 98.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.861 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -64.87 -40.44 95.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.42 85.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.583 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.69 -46.93 85.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.424 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 53.0 tp -63.06 -43.54 98.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.033 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 58.8 mmm -66.12 -38.2 87.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.899 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.892 0 N-CA-C 111.801 -0.52 . . . . 0.0 111.801 179.546 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 120.593 0.235 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -51.02 -55.15 18.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.159 0.504 . . . . 0.0 109.783 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.424 ' OE2' ' OE1' ' A' ' 11' ' ' GLU . 45.4 tp10 -44.43 -53.45 6.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.637 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -45.0 -59.75 2.42 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.408 HG13 ' H ' ' A' ' 10' ' ' ALA . 10.2 pt -55.75 -47.77 78.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.509 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.23 -35.16 78.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.114 0.483 . . . . 0.0 109.995 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' OE1' ' OE2' ' A' ' 7' ' ' GLU . 32.7 tp10 -58.81 -47.76 83.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.137 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.44 -41.57 96.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.303 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -57.94 -47.23 83.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.33 -55.21 37.9 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.488 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.89 -42.48 76.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.93 0.395 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.03 -51.03 71.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.6 m -56.92 -34.77 68.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.172 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.31 -43.48 86.14 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.194 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' LYS . 63.8 m-85 -68.35 -49.16 62.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.853 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 40.5 t0 -63.28 79.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.405 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PHE . 23.1 mmmt -62.17 -52.95 61.74 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.535 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 23.9 p-10 -63.62 -17.03 62.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.048 0.451 . . . . 0.0 109.821 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.92 42.65 99.75 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.991 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.405 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 34.6 p-10 -93.42 -2.35 54.72 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.216 0.508 . . . . 0.0 111.149 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.99 8.81 53.55 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 2.0 p -143.54 164.82 29.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.131 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.8 mt -115.51 137.22 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 29' ' ' THR . 80.0 m -118.95 168.84 10.41 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.029 0.443 . . . . 0.0 111.14 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.645 ' N ' HG22 ' A' ' 28' ' ' THR . 62.2 p -61.67 -44.59 96.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -66.73 -42.3 86.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.772 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 90.9 mt-10 -57.52 -57.07 14.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.025 0.44 . . . . 0.0 109.86 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.57 -45.82 92.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.561 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.84 -43.46 48.07 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -59.86 -47.35 86.09 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.25 -37.02 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.045 0.45 . . . . 0.0 110.523 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mtp -66.56 -40.18 88.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.209 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.61 -51.12 37.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.409 . . . . 0.0 110.736 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 t -53.11 -23.99 9.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.481 HD22 ' HB1' ' B' ' 58' ' ' ALA . 56.7 mt -83.86 -19.65 34.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.997 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.5 21.8 55.48 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.039 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -108.93 145.61 35.14 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.424 -0.456 . . . . 0.0 110.652 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.464 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.6 OUTLIER -36.02 100.45 0.2 Allowed Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.131 -179.388 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -80.6 -95.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.272 1.982 . . . . 0.0 112.149 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m 68.17 111.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.063 0.458 . . . . 0.0 110.529 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 46' ' ' ALA . 1.3 pt-20 -68.41 -53.31 24.58 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.327 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -38.88 -46.27 1.28 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.127 0.489 . . . . 0.0 109.724 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.05 -55.72 31.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.816 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.02 -52.59 64.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.647 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -46.86 -29.98 2.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.171 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -80.9 -42.81 20.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.153 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.9 mmt -66.98 -44.75 79.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.773 0.32 . . . . 0.0 111.013 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.525 HD12 HG22 ' A' ' 29' ' ' THR . 29.1 mt -65.38 -43.99 94.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -60.21 -39.93 88.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.73 -40.39 92.12 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.58 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.4 m -98.6 22.46 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 5.4 t70 -87.78 112.12 22.09 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.895 0.379 . . . . 0.0 110.075 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.75 64.63 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -92.46 -5.71 51.34 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.653 0.263 . . . . 0.0 111.67 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.588 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 73.64 19.65 79.73 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -76.13 -21.42 56.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.997 0.427 . . . . 0.0 110.585 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 88.12 19.87 51.54 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.9 p -132.82 153.52 51.21 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.717 0.294 . . . . 0.0 110.699 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.468 HD11 HG23 ' A' ' 52' ' ' ILE . 17.6 mm -108.01 117.7 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -86.09 -177.24 6.23 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.045 0.45 . . . . 0.0 111.226 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.558 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -59.24 -43.24 96.49 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.017 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 9.0 Cg_exo -67.79 -54.82 0.31 Allowed 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 123.065 2.51 . . . . 0.0 113.073 -177.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -52.34 -45.17 65.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.889 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -63.33 -48.35 78.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.248 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 69' ' ' LEU . 1.6 tm? -54.82 -36.09 64.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.058 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m . . . . . 0 C--N 1.321 -0.674 0 N-CA-C 112.935 0.716 . . . . 0.0 112.935 -179.409 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.279 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.51 94.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.841 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.574 ' O ' HD13 ' B' ' 50' ' ' LEU . 0.2 OUTLIER -63.79 -41.08 98.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.672 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 38.8 t -58.68 -46.65 86.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.243 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -67.59 -46.11 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.754 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -64.12 -46.57 83.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.56 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.0 93.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.688 0.28 . . . . 0.0 111.096 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.45 92.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.03 -44.57 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.671 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.39 -50.22 72.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.79 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.481 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -68.01 -37.51 81.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.17 81.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.189 0.519 . . . . 0.0 110.055 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -65.03 -40.15 94.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.544 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -53.66 -43.98 69.28 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.32 86.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.062 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -62.17 -47.31 85.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.5 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.12 -46.95 84.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 3.2 mmt -68.24 -36.99 80.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.902 0 N-CA-C 111.791 -0.524 . . . . 0.0 111.791 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 CA--C 1.532 0.261 0 CA-C-O 120.87 0.366 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -57.39 -48.89 77.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.276 0.56 . . . . 0.0 110.045 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -46.06 -61.02 1.93 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.938 0.399 . . . . 0.0 110.481 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -44.25 -58.15 3.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.417 -177.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 pt -58.45 -50.06 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.777 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.62 -33.25 69.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.263 0.554 . . . . 0.0 109.76 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.532 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 17.2 tp10 -65.16 -41.91 94.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.131 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.578 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.79 -40.56 88.18 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.877 0.37 . . . . 0.0 110.494 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -62.9 -44.64 95.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.473 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.02 -56.32 23.79 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.316 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.32 -45.61 69.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.056 0.455 . . . . 0.0 110.076 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -56.01 -51.84 66.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.831 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -53.77 -35.17 61.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.197 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.49 -42.9 86.72 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.313 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 21' ' ' LYS . 68.7 m-85 -73.7 -46.06 48.49 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.688 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 41.8 t0 -65.32 71.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.62 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -58.99 -50.31 74.55 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.389 -179.208 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 18.7 p-10 -62.51 -18.51 62.1 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.46 41.18 95.19 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.087 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -93.01 -4.7 52.13 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 117.063 0.432 . . . . 0.0 111.128 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.72 3.22 40.11 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -143.19 165.87 26.24 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.3 mt -110.34 130.24 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.55 HG22 ' N ' ' A' ' 29' ' ' THR . 57.2 m -108.79 162.55 14.08 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.199 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.55 ' N ' HG22 ' A' ' 28' ' ' THR . 8.2 p -59.4 -43.01 93.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.363 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.48 -41.14 89.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 66.5 mt-10 -58.17 -55.16 38.6 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.78 -47.28 86.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.597 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.84 -43.26 38.87 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.5 m -60.1 -48.07 83.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.75 -41.39 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-O 120.869 0.366 . . . . 0.0 110.68 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.3 mmm -65.95 -41.66 90.97 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.546 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' GLY . 4.7 tmt_? -74.39 -50.73 17.39 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.053 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.3 m -51.57 -22.11 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.449 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.6 mt -90.67 -16.89 27.75 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.901 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 99.34 19.48 20.77 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.511 -0.376 . . . . 0.0 112.188 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -75.65 150.42 37.96 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.509 -0.407 . . . . 0.0 110.697 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -38.02 146.04 0.3 Allowed Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.591 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.617 ' C ' HG23 ' A' ' 44' ' ' THR . 53.9 Cg_endo -71.13 -161.66 0.09 OUTLIER 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.491 2.127 . . . . 0.0 111.226 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.617 HG23 ' C ' ' A' ' 43' ' ' PRO . 3.0 p 79.88 105.12 0.07 Allowed 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.859 0.725 . . . . 0.0 111.192 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 48' ' ' LEU . 77.6 tt0 -84.42 -51.62 6.8 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.219 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -37.51 -31.31 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.506 0.669 . . . . 0.0 109.336 -178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' GLU . 68.6 mt-10 -60.02 -55.22 36.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.792 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 45' ' ' GLU . 8.1 mp -59.8 -51.16 70.92 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -51.82 -25.67 8.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.536 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -80.43 -43.51 20.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.176 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.473 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 37.9 mmt -61.96 -45.84 91.88 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.838 0.351 . . . . 0.0 110.728 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.446 HG12 HD11 ' A' ' 63' ' ' ILE . 81.4 mt -65.86 -42.67 92.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.356 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 29.7 t30 -47.53 -35.94 9.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.037 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -73.33 -42.64 62.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.438 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.2 m -96.7 19.2 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 46.1 p-10 -79.81 112.99 17.62 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.092 0.472 . . . . 0.0 110.495 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.79 -65.02 0.74 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.83 -0.97 57.84 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.76 23.62 77.7 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -82.17 -11.75 58.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.432 -0.384 . . . . 0.0 110.54 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.92 9.65 58.24 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.3 p -130.25 162.2 29.5 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.045 0.45 . . . . 0.0 110.603 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.446 HD11 HG12 ' A' ' 52' ' ' ILE . 87.9 mt -107.96 132.79 54.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.164 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -82.0 167.57 18.73 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.584 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' A' ' 16' ' ' PHE . 9.0 m-85 -50.1 -65.3 0.9 Allowed Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.979 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.7 Cg_endo -58.11 -43.98 43.19 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.481 2.121 . . . . 0.0 113.16 -177.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -47.81 -52.59 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -60.75 -46.58 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.3 0.571 . . . . 0.0 110.169 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.578 HD12 ' CD2' ' A' ' 12' ' ' PHE . 2.3 tt -55.74 -26.89 47.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.811 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.328 -0.356 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.331 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.473 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.21 -46.86 85.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.927 0.394 . . . . 0.0 111.063 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.616 ' O ' HD23 ' B' ' 50' ' ' LEU . 1.5 tt -62.52 -41.52 98.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.479 0.657 . . . . 0.0 109.852 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 51.1 m -57.45 -44.18 84.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.233 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -64.88 -38.94 92.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.584 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -62.1 -46.15 90.34 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.379 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.99 87.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.674 0.273 . . . . 0.0 111.174 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.29 95.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 110.746 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.34 -44.35 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.574 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.62 -49.86 71.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.73 88.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.57 96.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.929 0.395 . . . . 0.0 110.097 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.532 ' NH2' ' OE2' ' A' ' 11' ' ' GLU . 19.5 mmt85 -64.82 -41.11 96.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.808 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.73 -41.69 91.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.756 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.86 -46.24 79.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.437 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.1 -46.88 82.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.92 -47.53 82.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 76.5 mtp -67.52 -37.85 83.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.222 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 179.739 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 6' ' ' GLU . 25.4 m . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 5' ' ' THR . 80.8 tt0 -49.77 -58.81 4.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.316 0.579 . . . . 0.0 110.811 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -44.65 -58.48 3.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.395 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -46.8 -62.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.5 pt -55.0 -50.17 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.646 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.49 85.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.078 0.466 . . . . 0.0 110.226 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.34 -49.17 78.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.19 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.49 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.38 -42.89 99.77 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.518 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -45.99 91.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.752 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' B' ' 63' ' ' LYS . 72.5 mm-40 -63.63 -56.73 13.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.593 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -55.93 -36.28 67.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.097 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.419 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -58.3 -53.15 61.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.581 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -67.78 -20.57 65.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.551 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 mt -74.79 -45.59 42.6 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.929 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.593 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 m-85 -74.45 -54.32 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.724 -178.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -52.35 86.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.481 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' PHE . 19.8 mmtp -61.07 -54.28 46.65 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.29 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.71 -17.7 61.21 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.42 44.45 93.61 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.66 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' OD1' ' OG1' ' A' ' 26' ' ' THR . 47.1 p-10 -96.91 -5.25 38.5 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.961 0.381 . . . . 0.0 111.301 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.96 15.1 24.95 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.411 ' OG1' ' OD1' ' A' ' 24' ' ' ASP . 2.9 p -142.82 149.42 38.57 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.0 mt -107.94 146.8 13.49 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.043 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 29' ' ' THR . 62.0 m -136.13 167.45 21.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 111.306 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.627 HG22 HD12 ' A' ' 52' ' ' ILE . 52.4 p -60.3 -36.99 79.16 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.179 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.32 -42.1 65.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.709 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HB2' ' H ' ' A' ' 28' ' ' THR . 56.4 mt-10 -60.77 -61.54 2.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 109.766 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.86 -46.29 85.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.28 -39.86 44.07 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.6 m -60.73 -49.18 78.54 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.66 -42.35 91.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.075 0.464 . . . . 0.0 110.626 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.0 mtp -66.27 -43.33 86.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.421 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 40' ' ' GLY . 14.2 tpt180 -65.11 -51.32 62.01 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.202 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.1 t -49.43 -30.88 8.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.186 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 mt -80.1 -19.6 47.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 64.35 27.18 71.29 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -102.44 -40.07 6.86 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.78 0.324 . . . . 0.0 110.692 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -136.01 81.25 39.7 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' A' ' 45' ' ' GLU . 42.5 Cg_endo -72.25 -21.39 23.41 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 122.625 2.216 . . . . 0.0 111.93 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 44' ' ' THR . 0.5 OUTLIER -61.57 71.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.351 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 43' ' ' PRO . 62.6 tt0 -56.95 -10.36 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.277 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.56 -41.34 60.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.775 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -55.1 -46.49 75.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.46 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -63.27 -52.2 63.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.938 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.468 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 77.6 mt-30 -43.87 -42.62 5.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.411 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -70.62 -39.7 73.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.037 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.1 mmt -65.29 -46.11 81.7 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.754 0.312 . . . . 0.0 111.138 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.627 HD12 HG22 ' A' ' 29' ' ' THR . 29.5 mt -64.74 -43.19 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 49' ' ' GLN . 74.9 m-20 -62.0 -40.0 94.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.739 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.27 -45.08 85.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.409 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.5 m -90.08 19.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.37 108.2 17.07 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.199 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.43 -40.49 21.12 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.896 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -86.63 -21.21 26.89 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.664 0.269 . . . . 0.0 111.401 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.04 23.36 59.44 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -83.65 -17.83 40.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.881 0.372 . . . . 0.0 110.565 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.22 10.18 75.03 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -133.72 162.32 32.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.717 0.294 . . . . 0.0 110.993 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 mm -105.12 111.06 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.815 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.91 -168.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.159 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -65.15 -63.92 3.1 Favored Pre-proline 0 C--O 1.247 0.936 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.508 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.619 ' O ' ' N ' ' A' ' 70' ' ' THR . 19.2 Cg_endo -57.47 -50.03 11.98 Favored 'Trans proline' 0 C--O 1.195 -1.661 0 C-N-CA 122.154 1.902 . . . . 0.0 112.545 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' PRO . 80.8 mm-40 -39.11 -54.13 1.76 Allowed 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.152 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -63.42 -64.45 0.9 Allowed 'General case' 0 C--O 1.258 1.513 0 CA-C-O 122.03 0.919 . . . . 0.0 111.013 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.49 HD12 ' CD2' ' A' ' 12' ' ' PHE . 2.0 tt -58.08 -37.35 74.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.454 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.619 ' N ' ' O ' ' A' ' 66' ' ' PRO . 25.8 m . . . . . 0 C--N 1.311 -1.08 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.316 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.87 88.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 0.0 111.167 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.629 ' O ' HD23 ' B' ' 50' ' ' LEU . 2.5 tt -62.56 -44.33 96.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.261 0.553 . . . . 0.0 109.785 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.2 t -60.43 -46.0 91.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.578 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -63.75 -45.75 88.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.69 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.15 -43.63 92.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.419 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.59 95.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 111.357 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.17 -41.47 90.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.8 -43.68 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.658 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.63 -44.9 96.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.776 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.34 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.597 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.48 -39.51 93.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.094 0.473 . . . . 0.0 110.055 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 tpp85 -61.29 -44.7 96.79 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.615 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.81 -41.01 99.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.249 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.423 ' NZ ' ' OE1' ' A' ' 14' ' ' GLU . 88.5 tttt -64.01 -45.17 90.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.495 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 66.4 mt -63.23 -40.66 98.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.887 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.02 -37.27 85.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.838 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 179.668 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 8' ' ' GLN . 6.0 t . . . . . 0 CA--C 1.531 0.231 0 CA-C-O 120.593 0.235 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.413 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 39.8 tp10 -55.89 -51.57 67.14 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.154 0.502 . . . . 0.0 110.022 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -45.12 -58.89 2.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.608 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.433 ' H ' HG23 ' A' ' 5' ' ' THR . 26.5 tp60 -42.65 -59.1 2.04 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.7 pt -57.09 -49.24 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 119.93 -0.708 . . . . 0.0 111.101 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.96 87.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -57.5 -47.12 82.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.039 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.32 -43.23 99.31 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.785 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -56.43 -44.5 80.49 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.519 ' OE1' ' NH1' ' B' ' 60' ' ' ARG . 96.6 mt-10 -59.57 -55.11 38.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.071 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.521 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -59.26 -40.85 87.31 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.236 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -50.89 72.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.473 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 t -57.51 -34.94 69.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.306 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.65 -43.06 85.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 21' ' ' LYS . 53.8 m-85 -71.23 -51.74 22.92 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.551 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 27.7 t0 -55.15 82.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.649 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.0 mmmt -65.05 -55.35 19.39 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.534 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 22.3 p-10 -61.67 -18.54 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.318 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 63.09 41.02 99.89 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.067 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 26' ' ' THR . 29.6 p-10 -92.83 -6.45 48.81 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.011 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.46 6.88 43.76 Favored Glycine 0 N--CA 1.468 0.773 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.424 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 2.1 p -142.48 167.72 21.42 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.8 mt -118.16 137.6 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.653 HG22 ' N ' ' A' ' 29' ' ' THR . 80.2 m -116.72 168.58 10.08 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.015 0.436 . . . . 0.0 111.026 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.653 ' N ' HG22 ' A' ' 28' ' ' THR . 81.6 p -61.49 -41.01 96.63 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.594 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -71.58 -38.88 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.703 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 86.5 mt-10 -60.15 -58.24 9.4 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.266 0.555 . . . . 0.0 109.872 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -60.54 -46.11 91.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.541 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -40.28 39.99 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 m -61.04 -50.41 73.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.45 -39.84 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.189 0.518 . . . . 0.0 110.844 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.481 ' SD ' HD21 ' A' ' 48' ' ' LEU . 54.4 mtp -69.15 -41.33 77.42 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.003 0.43 . . . . 0.0 111.445 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -70.78 -51.05 29.48 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.447 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.0 m -52.51 -22.46 4.88 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.8 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.8 mt -90.35 -15.7 30.61 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.144 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.77 12.23 57.0 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.458 -0.401 . . . . 0.0 112.139 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 42' ' ' ASN . 16.1 tt0 -90.33 168.64 11.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.933 0.366 . . . . 0.0 110.69 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.404 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 6.6 m120 -35.03 98.45 0.15 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.387 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -81.05 19.41 1.16 Allowed 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.486 2.124 . . . . 0.0 111.642 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 p -65.08 85.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -54.62 -12.96 0.84 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.333 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.21 -40.26 18.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.227 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.02 -45.26 93.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.392 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.6 mp -63.91 -54.32 36.56 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.902 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -49.6 -35.22 20.16 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.616 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -79.9 -43.83 21.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.2 mmt -62.45 -45.26 93.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.69 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 29' ' ' THR . 31.4 mt -64.18 -41.67 93.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -54.87 -39.5 68.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.687 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.72 -42.75 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.407 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.59 34.45 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.2 p30 -80.02 -151.96 0.07 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.973 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.11 -75.11 0.08 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.388 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -92.0 0.56 57.47 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.133 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.3 15.46 76.53 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -72.44 -14.91 61.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 110.586 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.28 16.14 80.01 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -129.39 159.27 36.75 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.089 0.471 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.479 HD11 HG23 ' A' ' 52' ' ' ILE . 33.9 mm -103.53 123.24 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.421 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -84.0 176.01 9.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.438 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 m-85 -51.56 -65.46 0.96 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.013 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.9 Cg_endo -59.09 -43.65 40.71 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.465 2.11 . . . . 0.0 112.692 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -50.09 -50.43 48.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -61.42 -48.61 80.39 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.509 0.671 . . . . 0.0 110.593 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.94 -24.77 40.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.427 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.9 m . . . . . 0 C--N 1.327 -0.394 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.78 88.74 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 111.144 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.618 ' O ' HD23 ' B' ' 50' ' ' LEU . 1.8 tt -61.91 -45.18 94.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.357 0.599 . . . . 0.0 109.962 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 80.3 p -62.45 -43.72 98.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -64.53 -45.02 88.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.272 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.25 -39.18 93.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.318 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.62 92.09 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.634 0.254 . . . . 0.0 111.202 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.61 88.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.4 -44.26 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.512 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -63.04 -48.52 78.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.786 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.94 95.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.13 -43.82 94.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.077 0.465 . . . . 0.0 110.245 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.519 ' NH1' ' OE1' ' A' ' 14' ' ' GLU . 16.8 mmm180 -63.81 -42.68 97.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.048 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -64.81 -43.69 92.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 109.884 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.87 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.285 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.0 -37.47 87.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.88 -49.07 78.95 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.071 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -35.06 60.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.153 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.166 -179.647 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 8' ' ' GLN . 8.7 t . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 120.884 0.373 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.61 -55.12 24.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.087 0.47 . . . . 0.0 110.192 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -44.68 -58.66 2.91 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.498 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.445 ' H ' HG23 ' A' ' 5' ' ' THR . 38.3 tp60 -46.01 -58.86 3.22 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -177.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.5 pt -57.26 -49.55 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.863 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.72 82.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.061 0.458 . . . . 0.0 109.885 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -57.8 -45.49 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.671 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.46 -44.15 95.3 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.209 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -56.58 -45.17 81.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.324 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.55 -55.16 38.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.125 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.514 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.68 -40.97 85.1 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.179 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CZ ' ' CE1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -58.96 -51.64 69.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.152 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.5 t -56.4 -35.61 67.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.11 -43.73 86.35 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.691 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 21' ' ' LYS . 53.1 m-85 -70.83 -50.19 38.12 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.802 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.473 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 37.1 t0 -60.46 76.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.823 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.7 mmmt -61.26 -51.74 67.64 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.345 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.421 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 5.3 m-20 -60.5 -18.11 49.72 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.49 41.64 98.75 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.946 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -98.13 -2.08 40.82 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.904 0.352 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.473 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 97.21 10.01 54.94 Favored Glycine 0 N--CA 1.468 0.818 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 p -141.96 159.61 41.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -113.67 139.88 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 29' ' ' THR . 90.9 m -124.54 165.37 17.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 111.216 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.601 ' N ' HG22 ' A' ' 28' ' ' THR . 36.7 p -56.54 -43.76 80.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.429 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -67.51 -41.77 83.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.795 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.462 ' HB2' ' H ' ' A' ' 28' ' ' THR . 54.3 mt-10 -58.32 -60.92 3.02 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.411 HD22 ' CH2' ' B' ' 52' ' ' TRP . 42.2 tp -61.91 -48.31 81.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.871 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.66 -44.32 23.0 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.4 m -60.27 -47.81 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.6 t -60.94 -40.54 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.732 0.301 . . . . 0.0 110.611 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.0 mtp -66.14 -43.17 87.81 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.29 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -68.36 -51.23 46.62 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.663 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.8 p -50.58 -28.0 7.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.457 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.0 mt -80.57 -17.98 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.16 19.19 17.39 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -74.33 129.13 37.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -51.01 152.67 3.59 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.469 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -40.35 97.86 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 122.321 2.014 . . . . 0.0 111.721 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 t -137.85 -1.67 1.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.272 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -53.35 -22.04 6.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.399 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 -43.04 57.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.255 0.55 . . . . 0.0 110.22 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -55.99 -47.01 78.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.445 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -61.3 -50.99 70.73 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.101 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -45.56 -43.55 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.035 0.445 . . . . 0.0 110.802 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -72.12 -39.41 68.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.255 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 55' ' ' VAL . 22.7 mmt -69.39 -48.26 61.71 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.625 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.9 mt -57.63 -42.1 80.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -60.27 -17.81 44.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.839 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -94.69 -55.27 3.19 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.477 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 51' ' ' MET . 15.4 m -65.41 -21.23 28.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 25.8 t0 -58.43 125.71 24.47 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.66 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.97 61.44 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.226 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -91.39 -3.73 56.41 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.554 0.216 . . . . 0.0 111.301 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.52 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 68.65 27.86 73.54 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' A' ' 60' ' ' ASN . 32.5 t-20 -79.79 -14.79 58.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 110.724 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.54 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 88.96 12.2 64.12 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.8 p -128.41 156.8 42.59 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.022 0.439 . . . . 0.0 110.737 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.0 mm -104.34 121.93 56.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.021 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 64' ' ' ASP . 7.4 p30 -81.57 175.06 10.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.421 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.46 ' CE1' ' CZ ' ' A' ' 16' ' ' PHE . 2.9 m-85 -51.59 -64.72 1.26 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.394 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.2 Cg_endo -57.31 -47.53 21.84 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.477 2.118 . . . . 0.0 113.58 -177.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -49.65 -51.92 34.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.142 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 29.5 t80 -61.8 -49.13 77.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.143 0.497 . . . . 0.0 110.5 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tt -52.07 -28.8 18.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m . . . . . 0 C--N 1.327 -0.396 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.293 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.17 97.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.969 0.414 . . . . 0.0 111.126 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.02 -41.94 97.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 77.2 p -60.44 -43.81 96.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.16 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' TRP . . . . . 0.429 ' O ' HG22 ' B' ' 56' ' ' ILE . 55.1 m95 -66.45 -42.34 87.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.575 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.53 -41.29 96.47 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.438 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.21 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 111.326 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.35 -48.7 55.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.345 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.527 HG23 ' N ' ' B' ' 57' ' ' ASP . 20.2 tt -67.48 -43.02 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 110.837 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ASP . . . . . 0.527 ' N ' HG23 ' B' ' 56' ' ' ILE . 63.7 t0 -63.29 -39.21 93.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.494 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.0 -49.27 18.09 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.644 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.92 94.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.07 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -64.77 -41.75 95.64 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.56 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.499 ' O ' ' SD ' ' B' ' 65' ' ' MET . 59.6 tt0 -53.85 -45.49 70.96 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.65 91.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.956 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -63.14 -44.43 95.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.471 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 38.7 tp -61.85 -43.48 98.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.947 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' MET . . . . . 0.562 ' N ' ' SD ' ' B' ' 65' ' ' MET . 0.0 OUTLIER -66.25 -37.38 85.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.41 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 C-N-CA 121.217 -0.516 . . . . 0.0 111.94 179.608 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 121.217 0.532 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 39.2 tp10 -46.9 -57.89 4.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.775 0.798 . . . . 0.0 110.216 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.58 -56.68 4.87 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.541 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -45.58 -56.34 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 13.2 pt -57.63 -47.6 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.81 -178.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -62.89 -36.57 83.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.122 0.487 . . . . 0.0 109.815 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.12 -48.72 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.35 -38.97 93.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.895 0.379 . . . . 0.0 110.099 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -45.59 82.19 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.32 -54.75 43.17 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.757 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -56.25 -39.82 73.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.984 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -52.47 65.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -54.96 -32.58 61.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.943 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.4 -41.88 75.85 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.856 -0.337 . . . . 0.0 111.48 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 21' ' ' LYS . 60.7 m-85 -71.63 -55.41 7.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.803 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 28.0 t0 -54.33 84.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.751 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 19' ' ' PHE . 33.1 mmtt -65.96 -55.21 17.94 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.658 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 21.8 p30 -63.06 -18.54 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 64.05 41.37 98.56 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.023 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -89.66 -5.55 56.99 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.021 0.41 . . . . 0.0 111.24 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.38 0.78 50.48 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -140.07 158.6 43.8 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.2 mt -107.62 139.79 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.137 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.547 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 5.4 t -130.05 -176.94 4.1 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.991 0.424 . . . . 0.0 110.854 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.519 HG21 ' HG2' ' A' ' 49' ' ' GLN . 63.6 p -60.44 -46.51 89.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.107 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' H ' HG23 ' A' ' 28' ' ' THR . 55.1 mtpt -65.88 -46.39 78.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.304 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' A' ' 28' ' ' THR . 28.0 mt-10 -54.56 -60.38 3.43 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.259 0.552 . . . . 0.0 109.856 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.16 -45.24 94.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.752 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.17 -43.89 33.36 Favored Glycine 0 N--CA 1.454 -0.138 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.4 m -59.31 -49.61 77.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.81 -40.69 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.49 ' SD ' HD21 ' A' ' 48' ' ' LEU . 41.9 mtp -66.66 -40.75 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.693 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' GLY . 75.8 ttt180 -76.18 -50.83 13.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 m -50.32 -25.13 3.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.686 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.83 -14.31 34.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 95.56 19.13 30.63 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 112.083 -0.407 . . . . 0.0 112.083 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.552 ' HG2' ' H ' ' A' ' 42' ' ' ASN . 9.5 tt0 -96.46 177.84 5.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.015 0.436 . . . . 0.0 110.527 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.552 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 12.6 m120 -36.25 101.92 0.22 Allowed Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.273 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -74.83 -16.24 20.76 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.56 2.174 . . . . 0.0 112.031 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.33 125.38 23.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.557 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 46' ' ' ALA . 68.3 tt0 -81.76 -44.64 16.73 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.799 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -39.23 -45.67 1.4 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.427 0.632 . . . . 0.0 109.306 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -58.98 -54.6 45.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.257 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.49 HD21 ' SD ' ' A' ' 36' ' ' MET . 7.4 mp -54.04 -50.98 65.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.519 ' HG2' HG21 ' A' ' 29' ' ' THR . 75.7 mt-30 -51.72 -28.7 15.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.37 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -78.62 -46.82 18.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.964 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.0 mtt -65.24 -44.7 87.37 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.73 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 mt -64.22 -43.42 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -61.88 -39.37 91.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.059 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -66.47 -39.68 88.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.183 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.5 m -105.09 27.26 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' A' ' 57' ' ' ALA . 38.5 t0 -75.69 -140.34 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.754 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.517 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . -168.88 -73.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.253 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -85.24 -2.09 57.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.682 0.277 . . . . 0.0 111.449 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.27 12.39 82.25 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.94 -20.16 61.8 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.086 0.469 . . . . 0.0 110.387 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.63 17.04 66.88 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.1 p -130.69 156.72 44.45 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.822 0.344 . . . . 0.0 110.774 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.05 119.64 53.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.163 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -84.13 176.89 8.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.305 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.4 m-85 -50.34 -66.43 0.65 Allowed Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.151 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.2 Cg_endo -57.35 -43.3 53.33 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.429 2.086 . . . . 0.0 113.185 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -50.57 -52.97 34.15 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.667 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -61.58 -45.31 94.67 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.522 0.677 . . . . 0.0 110.024 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.694 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.4 tm? -54.91 -35.88 64.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.137 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.5 m . . . . . 0 C--N 1.323 -0.546 0 O-C-N 121.617 -0.677 . . . . 0.0 112.606 -178.78 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.08 -39.23 93.62 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.02 0.438 . . . . 0.0 110.999 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.42 -42.72 98.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.44 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 72.0 m -60.23 -45.07 94.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.416 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -66.46 -46.91 74.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.407 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -61.85 -41.87 98.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.307 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.45 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.191 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.05 93.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.362 . . . . 0.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 94.9 mt -65.13 -43.93 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.654 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.37 -47.9 82.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.792 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.63 -38.41 77.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.77 72.72 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.35 0.595 . . . . 0.0 110.134 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -65.78 -34.03 77.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.731 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -56.44 -45.59 80.71 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.75 89.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.279 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -63.4 -44.28 95.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.708 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.54 -45.76 91.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 88.7 mmm -67.65 -37.76 82.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.126 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.816 -0.513 . . . . 0.0 111.816 179.476 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 8' ' ' GLN . 7.7 t . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.68 -49.72 76.38 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 121.241 0.543 . . . . 0.0 109.659 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -46.07 -55.18 7.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.828 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.433 ' H ' HG23 ' A' ' 5' ' ' THR . 45.2 tp60 -45.91 -58.15 3.78 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.1 pt -56.78 -47.3 82.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.708 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.32 94.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.33 0.586 . . . . 0.0 109.921 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -52.21 -44.89 65.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.412 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.536 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.19 -43.1 96.1 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.066 179.621 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -56.97 -45.87 82.58 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.85 0.357 . . . . 0.0 110.372 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.8 -53.45 57.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.761 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.77 80.06 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.276 0.56 . . . . 0.0 109.934 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -51.28 70.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.738 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.2 t -54.17 -36.68 63.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.13 -42.57 96.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' LYS . 55.3 m-85 -71.5 -50.42 31.68 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.631 -0.428 . . . . 0.0 112.036 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 66.4 t0 -61.8 71.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.265 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.8 mmmt -56.44 -48.99 75.87 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.905 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -61.29 -16.95 50.89 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.403 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.57 41.14 72.66 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.773 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -92.76 -3.76 54.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.066 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.56 3.41 43.59 Favored Glycine 0 N--CA 1.466 0.695 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.9 p -144.11 165.57 27.44 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -110.19 132.12 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.579 HG22 ' N ' ' A' ' 29' ' ' THR . 88.4 m -112.87 164.06 13.88 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.961 0.41 . . . . 0.0 110.865 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.579 ' N ' HG22 ' A' ' 28' ' ' THR . 32.0 p -56.58 -41.74 77.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.609 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -69.0 -42.85 75.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.656 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -57.33 -62.88 1.46 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.052 0.453 . . . . 0.0 109.94 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.44 -45.19 94.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.719 178.728 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.587 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -52.39 -44.45 58.57 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -178.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.0 m -61.94 -44.28 97.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.62 -39.83 84.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 CA-C-O 120.693 0.282 . . . . 0.0 111.069 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.475 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 56.2 mmm -67.12 -47.34 71.44 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.631 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -69.38 -50.21 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.51 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.4 t -52.08 -21.33 3.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.522 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.4 mt -82.68 -12.78 57.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.351 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.79 17.91 26.76 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -82.65 123.98 29.77 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.969 0.414 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -42.1 155.21 0.25 Allowed Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.29 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -40.06 98.49 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.271 0 C-N-CA 122.191 1.927 . . . . 0.0 111.622 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -135.46 -1.15 2.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -53.97 -19.12 4.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.398 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.27 -40.37 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.153 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -58.16 -47.5 83.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.551 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.528 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.2 mm? -64.56 -51.44 62.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.227 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -46.64 -42.17 15.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.448 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -68.67 -38.88 80.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.714 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.9 mmt -63.98 -47.82 78.85 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.6 mt -62.4 -42.91 97.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -52.33 -17.65 1.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 56' ' ' ASP . 84.3 tt0 -99.62 -58.82 1.84 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.284 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.47 30.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 22.8 t0 -89.37 114.18 25.58 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.261 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.84 -67.57 0.35 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -91.93 -3.57 55.78 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.05 17.3 74.85 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -71.46 -21.08 62.0 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.016 0.436 . . . . 0.0 110.534 -179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.529 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 91.5 20.8 36.55 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 p -137.66 160.9 37.92 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.737 0.303 . . . . 0.0 110.805 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.5 mm -110.38 129.08 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.372 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.45 -179.24 5.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.392 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -49.99 -68.11 0.39 Allowed Pre-proline 0 CA--C 1.546 0.811 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.468 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 21.0 Cg_endo -58.89 -48.06 15.92 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.399 2.066 . . . . 0.0 113.365 -177.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -51.07 -48.53 61.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.939 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 25.1 t80 -59.01 -50.04 75.62 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.818 0.818 . . . . 0.0 109.802 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.698 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.2 tm? -59.01 -56.35 23.39 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.469 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.512 ' N ' HD13 ' A' ' 69' ' ' LEU . 17.3 m . . . . . 0 C--N 1.321 -0.657 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.687 -177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.59 90.15 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 111.033 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.62 -41.45 98.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.31 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 70.8 m -59.28 -43.47 92.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.207 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -66.24 -45.79 79.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.629 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.27 -39.04 89.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.047 0.451 . . . . 0.0 111.528 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.75 76.22 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.412 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.475 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -69.19 -42.81 75.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.347 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.528 HD13 ' O ' ' B' ' 56' ' ' ILE . 0.3 OUTLIER -66.46 -40.17 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.238 0.542 . . . . 0.0 110.622 -179.33 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -61.72 -43.22 99.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.222 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.41 -39.11 74.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.478 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.71 98.34 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.027 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -48.17 79.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.476 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -65.04 -40.39 94.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.101 0.477 . . . . 0.0 109.837 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.36 89.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.586 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.43 -47.48 83.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.73 -41.74 98.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.099 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 26.7 ttt -65.96 -37.71 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.98 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 179.562 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.885 0.374 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.41 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 83.7 tt0 -46.56 -58.61 3.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.395 0.617 . . . . 0.0 110.701 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.523 ' CG ' ' H ' ' A' ' 8' ' ' GLN . 5.4 pt-20 -47.33 -59.53 3.13 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.494 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.523 ' H ' ' CG ' ' A' ' 7' ' ' GLU . 67.0 mt-30 -42.55 -55.3 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 11.2 pt -61.03 -48.31 89.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.821 -0.752 . . . . 0.0 110.581 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.9 82.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -54.26 -41.72 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.944 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.28 -44.56 94.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.065 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -59.42 -44.53 92.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -57.94 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.69 -43.18 84.92 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.068 0.461 . . . . 0.0 110.094 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -50.89 71.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.691 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -57.08 -32.7 66.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 18' ' ' LEU . 82.3 mt -67.52 -41.2 84.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.736 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 21' ' ' LYS . 31.1 m-85 -80.77 -43.68 19.77 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.592 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 68.2 t0 -65.47 61.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.344 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.3 mmmt -51.93 -43.5 63.48 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.48 -19.41 62.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.52 37.21 74.04 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.968 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.3 p-10 -98.44 -17.85 18.56 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.927 0.364 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.479 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 114.7 9.72 13.83 Favored Glycine 0 N--CA 1.469 0.859 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.43 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -143.55 154.73 43.9 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.2 mt -112.95 126.3 70.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 31' ' ' GLU . 15.2 t -114.64 176.86 4.87 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.068 0.461 . . . . 0.0 111.125 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 p -61.36 -38.42 86.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.809 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -68.53 -45.1 73.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.151 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.535 ' H ' HG23 ' A' ' 28' ' ' THR . 33.1 mt-10 -58.94 -63.25 1.37 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 109.917 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.4 tp -61.65 -49.55 76.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.745 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.33 -41.08 23.6 Favored Glycine 0 CA--C 1.518 0.243 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.6 m -61.48 -51.81 67.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.83 -40.46 85.23 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-O 120.741 0.305 . . . . 0.0 111.037 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 53.6 mmm -65.67 -29.38 69.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.919 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -74.39 -50.36 18.9 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.343 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.7 t -60.24 -30.98 69.77 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.215 0.531 . . . . 0.0 110.779 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD22 ' HB1' ' B' ' 58' ' ' ALA . 66.0 mt -69.27 -30.11 68.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.467 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.35 18.59 10.16 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 tp-100 -78.85 155.35 29.18 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.058 0.456 . . . . 0.0 110.899 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -37.04 142.43 0.37 Allowed Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.505 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' A' ' 45' ' ' GLU . 56.3 Cg_endo -72.28 -7.7 21.42 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 122.554 2.169 . . . . 0.0 111.864 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.602 ' O ' HG23 ' A' ' 44' ' ' THR . 9.7 t -57.8 77.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.305 0.574 . . . . 0.0 111.456 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 43' ' ' PRO . 15.3 pt-20 -69.6 -7.97 43.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.547 0.689 . . . . 0.0 110.163 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.64 65.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.598 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -57.04 -47.43 80.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.704 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.526 ' N ' HD12 ' A' ' 48' ' ' LEU . 7.3 mp -61.99 -49.26 76.76 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -52.27 -45.49 65.45 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -73.56 -41.72 62.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.238 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.1 mmt -61.03 -49.9 75.53 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.635 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.4 mt -64.27 -42.19 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 35.5 t-20 -57.37 -35.78 70.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.735 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -67.44 -44.03 79.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.261 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 56' ' ' ASP . 18.8 m -95.35 16.9 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 55' ' ' VAL . 54.7 p30 -59.88 -145.36 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.977 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.38 -66.15 0.12 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.22 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -99.37 12.08 37.32 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.492 0.187 . . . . 0.0 111.441 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.67 18.1 79.85 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -108.28 -0.27 20.91 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.458 -0.371 . . . . 0.0 110.366 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.636 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 71.43 176.4 24.56 Favored Glycine 0 C--O 1.221 -0.705 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.636 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 17.5 p 92.28 138.13 0.03 OUTLIER 'General case' 0 C--N 1.347 0.496 0 O-C-N 124.271 0.63 . . . . 0.0 111.396 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.6 mm -105.86 135.41 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.161 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.44 176.28 6.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.485 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.2 m-85 -52.94 -66.1 0.89 Allowed Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.947 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 18.6 Cg_endo -58.95 -44.25 36.82 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.49 2.127 . . . . 0.0 113.065 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -48.94 -54.94 13.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.037 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -61.06 -49.08 78.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.264 0.554 . . . . 0.0 110.575 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.37 -27.29 46.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.769 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.28 96.75 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.967 0.413 . . . . 0.0 111.047 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.9 tp -63.14 -40.25 97.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.149 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 15.8 t -61.14 -44.58 97.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.267 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -63.27 -46.64 85.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.407 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -65.35 -42.93 92.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.479 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.89 86.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.611 0.243 . . . . 0.0 111.144 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.38 91.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.728 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.79 -44.04 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.04 -47.76 84.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.793 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.53 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -69.5 -39.74 77.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.81 97.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.135 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -62.24 -46.24 89.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.849 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -64.89 -38.91 92.54 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.87 95.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.381 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.46 -42.93 98.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.51 -43.23 99.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.47 -36.81 83.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.905 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 179.736 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' H ' ' A' ' 7' ' ' GLU . 9.9 t . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 120.758 0.313 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.482 ' N ' ' OG1' ' A' ' 5' ' ' THR . 83.3 tt0 -69.66 -40.72 76.28 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.779 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.497 ' H ' HG23 ' A' ' 5' ' ' THR . 32.0 tt0 -51.56 -62.86 1.36 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -49.02 -53.75 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -176.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 6' ' ' GLU . 12.6 pt -54.54 -43.83 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.333 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.45 84.91 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.899 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.2 -46.39 85.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.802 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -43.56 98.51 Favored 'General case' 0 CA--C 1.533 0.288 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.34 -44.14 75.64 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.298 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.23 -55.28 33.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.538 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.31 -40.99 79.02 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.839 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -49.92 75.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.7 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -57.93 -32.54 67.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.948 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.92 -45.01 68.46 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.987 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 43.4 m-85 -73.27 -44.35 59.44 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.569 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 44.5 t0 -64.01 70.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.902 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.9 mmmt -58.57 -49.17 78.41 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.038 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' OD2' ' OD2' ' A' ' 24' ' ' ASP . 41.8 t0 -60.49 -18.24 50.43 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.96 40.54 95.52 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.539 178.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.59 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -99.87 -7.89 24.75 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.213 0.507 . . . . 0.0 110.783 179.632 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.455 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 101.87 10.64 39.66 Favored Glycine 0 N--CA 1.467 0.757 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -141.33 150.99 43.2 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.8 mt -110.02 144.22 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 31' ' ' GLU . 2.9 t -138.43 164.49 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.186 0.517 . . . . 0.0 110.882 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 29' ' ' THR . 5.6 p -51.51 -42.7 61.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.887 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -64.62 -44.62 89.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.453 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.631 ' H ' HG23 ' A' ' 28' ' ' THR . 88.4 mt-10 -63.52 -62.38 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.196 0.522 . . . . 0.0 110.244 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.681 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.36 -43.6 98.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.497 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.681 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -54.51 -42.63 76.54 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -178.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.4 m -59.56 -47.87 83.86 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.17 -41.31 86.24 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-O 120.823 0.344 . . . . 0.0 110.466 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.481 ' CE ' ' OE1' ' A' ' 41' ' ' GLN . 59.0 mmm -63.78 -40.77 97.46 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.027 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -68.81 -50.58 48.9 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.116 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -52.21 -33.05 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.628 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.4 mt -69.55 -18.69 63.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.206 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.25 24.72 10.04 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.481 ' OE1' ' CE ' ' A' ' 36' ' ' MET . 88.6 mt-30 -82.22 126.77 32.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.562 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.432 ' CB ' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -50.13 179.39 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.433 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.162 -178.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 42' ' ' ASN . 26.6 Cg_exo -61.41 100.79 0.19 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.265 1.977 . . . . 0.0 111.645 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.7 t -148.1 2.42 0.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.926 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.82 -16.08 4.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.285 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.14 -42.6 62.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.392 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 15.7 mp0 -53.32 -49.33 67.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.73 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.644 ' HG ' HD21 ' A' ' 32' ' ' LEU . 4.6 mm? -63.36 -48.59 77.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.549 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -47.64 -48.53 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.756 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -70.43 -39.28 74.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.44 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.438 ' O ' HG22 ' A' ' 55' ' ' VAL . 40.9 mtt -65.34 -42.77 92.55 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.8 -44.92 98.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -62.2 -32.21 72.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.714 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -77.99 -56.44 4.48 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 51' ' ' MET . 16.1 m -64.43 -34.96 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.586 ' CG ' ' H ' ' A' ' 59' ' ' GLY . 60.9 t0 -40.62 130.03 2.46 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.451 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . -85.76 -39.91 16.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.808 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -87.3 -20.61 26.58 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 111.337 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.586 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 80.75 17.46 72.83 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.51 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 99.3 m-20 -71.57 -19.95 62.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.977 0.418 . . . . 0.0 110.316 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.58 7.02 60.6 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.1 p -129.74 161.19 31.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.657 0.265 . . . . 0.0 110.684 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.7 mm -105.33 124.66 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -91.56 -176.94 4.66 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 111.253 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -52.66 -46.05 96.18 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.372 -179.134 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 2.1 Cg_endo -75.0 -50.49 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.783 2.322 . . . . 0.0 113.085 -176.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -53.79 -41.72 67.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.464 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -71.71 -65.71 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.505 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 tt -47.87 -26.22 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.571 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.8 m . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.128 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.03 95.52 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.112 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.01 -43.94 97.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.252 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 71.9 m -64.65 -52.31 58.0 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.718 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -47.77 84.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.142 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -65.94 -37.73 86.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.245 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.74 -34.97 75.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.079 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.59 -49.79 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.665 HD12 ' N ' ' B' ' 56' ' ' ILE . 2.2 mp -65.28 -43.9 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 110.719 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.27 -45.51 94.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.692 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.51 79.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.594 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.22 92.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.136 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -62.16 -45.99 90.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.558 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -65.94 -40.55 91.48 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.41 99.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.46 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.49 -45.69 89.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 63.1 mt -63.4 -42.99 98.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.922 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 95.7 mtp -68.14 -37.63 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.088 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 179.664 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 7' ' ' GLU . 1.2 t . . . . . 0 CA--C 1.534 0.335 0 CA-C-O 120.767 0.318 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -55.3 -53.49 55.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.105 0.479 . . . . 0.0 110.203 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.438 ' N ' HG23 ' A' ' 5' ' ' THR . 26.9 tt0 -45.71 -57.65 4.08 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.862 0.363 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -44.36 -57.68 3.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -176.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 10' ' ' ALA . 13.5 pt -56.95 -47.09 83.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.675 -178.235 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -61.71 -40.03 93.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 0.0 109.979 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HG2' HH22 ' B' ' 60' ' ' ARG . 83.6 tt0 -57.93 -45.25 86.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.808 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -65.64 -40.21 92.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.179 179.745 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.3 -40.69 74.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.099 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.9 -54.67 31.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.915 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.44 -39.62 76.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.046 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -50.06 75.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.678 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.6 t -57.26 -33.46 67.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.148 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.8 mt -68.51 -42.53 78.44 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.615 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.0 m-85 -71.87 -52.65 16.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.771 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.468 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.5 t0 -59.85 77.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.599 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -60.99 -52.26 65.76 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.288 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.542 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.9 p-10 -61.99 -18.72 61.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 60.41 41.66 98.63 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.113 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -89.81 -4.06 57.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.005 0.402 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.43 1.48 47.19 Favored Glycine 0 N--CA 1.467 0.722 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -140.68 170.51 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -114.77 134.67 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.559 HG22 ' N ' ' A' ' 29' ' ' THR . 51.4 m -110.05 164.35 12.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.107 0.48 . . . . 0.0 111.175 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.559 ' N ' HG22 ' A' ' 28' ' ' THR . 7.3 m -61.13 -42.16 98.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.793 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -70.39 -41.03 73.57 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.767 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -54.71 -60.04 3.9 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.8 tp -58.58 -47.56 83.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.791 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.01 -43.52 31.64 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.6 m -61.31 -47.06 87.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.18 -35.78 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.978 0.418 . . . . 0.0 110.631 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.632 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 42.6 mmm -67.98 -47.29 68.95 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.677 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -67.34 -47.47 70.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.792 0.33 . . . . 0.0 110.474 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.8 p -52.46 -25.27 9.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.713 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.0 mt -83.27 -11.72 57.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.88 19.37 22.19 Favored Glycine 0 N--CA 1.465 0.628 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -84.12 122.93 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.003 0.43 . . . . 0.0 110.756 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -42.02 148.6 0.47 Allowed Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.575 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -42.17 120.04 1.45 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.167 1.911 . . . . 0.0 111.804 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -150.7 17.28 0.79 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.423 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -53.52 -19.58 3.9 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.285 0.564 . . . . 0.0 110.401 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.61 -41.04 55.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.206 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -57.26 -43.9 83.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.595 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.7 mp -62.02 -52.3 64.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.033 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -47.62 -42.71 24.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.873 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -79.03 -41.43 28.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.661 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.635 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 14.6 mmt -62.65 -50.33 71.65 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.992 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 63' ' ' ILE . 63.2 mt -64.32 -43.92 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.947 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -46.84 -17.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.187 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 52' ' ' ILE . 79.6 mm-40 -104.59 -54.96 2.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.645 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 m -89.53 34.96 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.642 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 14.4 t70 -85.93 -24.41 26.58 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.884 0.373 . . . . 0.0 111.078 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 56' ' ' ASP . . . 82.58 -61.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -96.46 -4.57 41.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.47 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.566 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 69.28 16.78 71.56 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 98.0 m-20 -75.26 -23.51 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.407 . . . . 0.0 110.577 -179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.586 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 100.05 -0.27 56.16 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.569 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 5.6 p -121.97 155.12 36.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.975 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.45 HD11 HG23 ' A' ' 52' ' ' ILE . 18.3 mm -103.7 121.48 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.087 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -82.52 174.7 10.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.4 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -51.24 -65.98 0.8 Allowed Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.138 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 16.4 Cg_endo -56.06 -44.8 43.47 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.685 2.256 . . . . 0.0 113.203 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -49.55 -53.64 22.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -61.25 -46.84 88.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.804 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.724 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.3 tm? -51.95 -37.87 54.4 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.27 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.656 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.635 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.2 94.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.775 0.321 . . . . 0.0 111.157 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.65 -41.8 99.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.335 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -59.27 -46.7 87.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.351 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -67.44 -46.54 72.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.582 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -59.34 -44.83 92.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.454 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.88 97.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.032 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.632 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -68.31 -46.59 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.25 -44.22 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.414 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -63.99 -45.56 88.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.784 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.73 82.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.1 93.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.011 0.434 . . . . 0.0 110.026 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ARG . . . . . 0.432 HH22 ' HG2' ' A' ' 11' ' ' GLU . 19.4 mmt85 -66.07 -39.68 90.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.08 -40.69 95.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.821 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.95 -47.67 82.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.43 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.77 -41.06 96.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.568 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.6 tp -61.61 -45.91 92.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.16 -36.43 79.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.894 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.878 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 179.74 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 120.787 0.327 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.409 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 81.4 tt0 -46.35 -57.22 4.82 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 121.121 0.486 . . . . 0.0 110.123 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -43.59 -56.19 3.85 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.178 -0.326 . . . . 0.0 110.468 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -41.92 -58.84 1.91 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.432 HG13 ' H ' ' A' ' 10' ' ' ALA . 10.3 pt -58.6 -49.48 82.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.196 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -58.74 -37.05 75.33 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -59.47 -44.82 92.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.179 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.537 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.27 -43.93 96.54 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.011 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -60.44 -45.53 93.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.368 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -56.01 -54.31 46.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.027 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.69 -45.96 88.32 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.315 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -49.74 74.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -58.45 -37.68 75.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.455 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.94 -41.43 97.95 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.19 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 62.6 m-85 -73.11 -41.11 64.37 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.912 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.531 ' OD2' ' N ' ' A' ' 26' ' ' THR . 46.2 t0 -66.96 68.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.072 -179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.8 mmmt -57.65 -47.61 81.78 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.698 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 20.1 t0 -57.42 -16.11 8.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.89 36.98 56.82 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.195 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -98.13 -2.53 39.78 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.931 0.366 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.86 4.75 51.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.531 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 4.9 p -143.69 156.68 44.61 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 122.553 -0.38 . . . . 0.0 110.095 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -105.05 127.36 59.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.607 HG22 ' N ' ' A' ' 29' ' ' THR . 61.2 m -108.38 164.82 12.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.607 ' N ' HG22 ' A' ' 28' ' ' THR . 40.0 p -54.76 -43.48 72.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.693 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.438 ' H ' HG22 ' A' ' 28' ' ' THR . 9.2 mtpm? -67.4 -40.92 85.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.713 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.09 -57.43 12.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.086 0.47 . . . . 0.0 109.877 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.15 -48.77 80.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.747 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.13 -44.11 26.0 Favored Glycine 0 CA--C 1.519 0.309 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.1 m -59.71 -49.27 78.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.98 -41.79 90.45 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 CA-C-O 120.629 0.252 . . . . 0.0 110.855 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.427 ' HA ' HD12 ' A' ' 39' ' ' LEU . 61.3 mmm -63.36 -34.25 77.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.353 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -80.6 -50.35 10.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.2 m -48.84 -18.53 0.28 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.759 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 36' ' ' MET . 39.9 mt -68.13 -14.12 62.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.369 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.14 39.07 2.53 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.68 -0.568 . . . . 0.0 111.68 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 42' ' ' ASN . 46.0 tt0 -144.6 171.84 13.81 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.579 -0.365 . . . . 0.0 110.628 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.412 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 1.9 m120 -116.44 77.72 7.94 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.232 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -79.48 177.26 8.71 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.9 2.4 . . . . 0.0 111.657 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.9 m -120.59 148.78 43.43 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 110.599 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 6.0 pt-20 -70.12 -56.09 7.77 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.18 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -39.68 -43.64 1.4 Allowed 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -57.56 -63.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.045 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 mp -57.27 -50.36 73.16 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.432 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 91.1 mt-30 -50.56 -26.84 5.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.513 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -80.52 -42.76 21.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.846 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.481 ' O ' HG22 ' A' ' 55' ' ' VAL . 26.4 mmt -62.32 -45.53 92.81 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.623 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.467 HG23 HD11 ' A' ' 63' ' ' ILE . 20.6 mt -66.54 -44.92 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 49' ' ' GLN . 7.4 m120 -60.41 -37.54 81.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.81 -40.07 95.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.145 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.894 HG23 ' H ' ' A' ' 56' ' ' ASP . 29.5 m -98.33 -67.27 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 119.483 -0.294 . . . . 0.0 111.709 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.894 ' H ' HG23 ' A' ' 55' ' ' VAL . 10.8 p-10 30.67 -138.07 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.065 0.228 . . . . 0.0 111.122 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -173.2 -71.55 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.715 0.293 . . . . 0.0 110.78 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.65 -3.47 59.04 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.071 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.47 7.98 85.61 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -71.82 -16.11 62.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.993 0.425 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.01 17.67 64.71 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -127.27 153.67 45.86 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.001 0.429 . . . . 0.0 110.812 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.467 HD11 HG23 ' A' ' 52' ' ' ILE . 20.6 mm -107.85 128.61 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.536 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -96.94 175.67 6.25 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.416 0.627 . . . . 0.0 110.895 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -47.25 -56.03 13.84 Favored Pre-proline 0 C--O 1.243 0.751 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.703 -179.564 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 41.6 Cg_endo -69.96 -41.6 3.88 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.148 1.899 . . . . 0.0 112.67 -178.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -58.48 -44.0 89.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.341 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 19.7 t80 -61.44 -50.08 74.24 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.444 0.64 . . . . 0.0 109.999 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.94 -51.42 68.17 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.289 -0.565 . . . . 0.0 110.96 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.7 m . . . . . 0 C--N 1.322 -0.62 0 O-C-N 122.16 -0.338 . . . . 0.0 111.568 -178.178 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.31 94.82 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.842 0.353 . . . . 0.0 111.166 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.27 -43.17 98.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.302 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -60.3 -46.43 89.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.35 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -66.89 -46.58 74.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.403 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.1 -44.89 96.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.434 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.38 93.42 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.266 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.77 90.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.94 -44.13 97.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.635 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.05 -48.42 80.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ALA . . . . . 0.403 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -64.76 -38.6 91.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.519 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.58 -39.1 92.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.025 0.441 . . . . 0.0 109.907 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -63.39 -45.38 91.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.778 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.02 -38.93 92.52 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.62 98.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.514 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.9 -44.25 96.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.652 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.97 -44.13 97.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.0 mmm -67.9 -36.47 80.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.088 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 179.625 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.571 HG22 ' N ' ' A' ' 6' ' ' GLU . 94.2 m . . . . . 0 N--CA 1.467 0.424 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.571 ' N ' HG22 ' A' ' 5' ' ' THR . 44.0 tt0 -47.57 -59.96 2.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.39 0.614 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.49 -60.97 1.88 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.556 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -44.29 -60.36 1.95 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 10' ' ' ALA . 16.0 pt -55.51 -49.8 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.784 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.426 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -58.78 -29.45 66.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -66.12 -46.85 76.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.208 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.491 ' CZ ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -63.26 -44.63 94.59 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.183 -179.362 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -57.2 -47.86 80.21 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.55 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -56.99 -56.28 23.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.995 0.426 . . . . 0.0 110.367 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.65 -42.67 88.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.252 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.89 -51.7 68.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.836 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 t -56.39 -35.71 68.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.5 -43.16 86.07 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.584 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.8 m-85 -69.68 -52.9 21.57 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.715 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 26' ' ' THR . 45.8 t0 -59.86 76.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.941 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.4 mmmt -61.6 -52.97 62.21 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.293 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 4.6 m-20 -59.02 -19.17 41.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.63 41.7 99.78 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.817 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -95.81 -2.26 47.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.813 0.306 . . . . 0.0 111.249 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.74 8.48 55.75 Favored Glycine 0 N--CA 1.468 0.772 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 12.6 p -141.48 169.78 16.96 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.9 mt -119.56 142.98 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.618 HG22 ' N ' ' A' ' 29' ' ' THR . 96.4 m -127.97 165.22 20.68 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.065 0.459 . . . . 0.0 111.226 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.618 ' N ' HG22 ' A' ' 28' ' ' THR . 40.2 p -54.5 -44.11 72.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.579 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.6 -41.81 83.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.476 ' HB2' ' H ' ' A' ' 28' ' ' THR . 55.7 mt-10 -60.2 -63.33 1.34 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.171 0.51 . . . . 0.0 109.989 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -61.85 -44.42 96.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.559 179.079 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.721 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -53.28 -43.55 64.65 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -178.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.4 m -60.85 -47.24 87.25 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.52 -40.68 79.57 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 CA-C-O 120.656 0.265 . . . . 0.0 111.012 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 40.5 mtp -65.59 -38.75 90.38 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.298 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -73.22 -50.85 20.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.776 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -51.06 -32.2 21.2 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.785 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.16 -13.17 62.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.73 24.37 38.93 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 112.147 -0.381 . . . . 0.0 112.147 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -91.58 144.35 25.63 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.999 0.4 . . . . 0.0 110.651 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -42.76 153.85 0.31 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.464 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.75 125.19 14.93 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.353 2.035 . . . . 0.0 111.633 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.428 ' OG1' ' OE1' ' A' ' 47' ' ' GLU . 10.5 t -156.98 14.48 0.27 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.442 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -55.32 -19.06 7.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.207 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.84 -44.18 50.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.153 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' OE1' ' OG1' ' A' ' 44' ' ' THR . 86.0 mt-10 -54.83 -50.53 68.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.103 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.658 ' HG ' HD21 ' A' ' 32' ' ' LEU . 4.6 mm? -61.27 -51.0 70.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.212 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -44.87 -44.25 9.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.735 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -71.37 -38.42 71.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.027 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.421 ' O ' HG22 ' A' ' 55' ' ' VAL . 23.6 mmt -70.45 -48.28 56.64 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.418 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.1 mt -61.1 -42.92 95.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -58.37 -16.31 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' C ' ' H ' ' A' ' 56' ' ' ASP . 41.1 tt0 -97.83 -59.83 1.69 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.565 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 51' ' ' MET . 24.2 m -62.46 4.72 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 10.8 t0 -79.7 121.71 25.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.679 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.39 -48.01 62.49 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.243 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -90.74 -8.2 50.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.422 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 75.27 25.41 68.53 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.064 -1.215 . . . . 0.0 110.064 -179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -79.92 -10.63 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 0.0 110.551 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.558 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 80.04 18.25 72.65 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.1 p -132.03 158.45 41.51 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.896 0.379 . . . . 0.0 111.011 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.7 mm -104.66 120.03 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.294 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -81.69 176.3 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.196 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -52.8 -61.56 4.56 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.977 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 15.5 Cg_endo -55.45 -48.16 22.0 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.529 2.153 . . . . 0.0 113.229 -176.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -54.98 -47.0 75.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.089 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.64 -64.39 0.96 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.13 0.491 . . . . 0.0 110.755 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tt -46.04 -26.8 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.575 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m . . . . . 0 C--N 1.328 -0.338 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.022 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.74 89.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.591 ' O ' HD13 ' B' ' 50' ' ' LEU . 0.2 OUTLIER -63.23 -42.69 99.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.53 0.681 . . . . 0.0 109.957 -179.703 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.0 m -55.13 -44.15 74.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.157 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -68.28 -46.81 69.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.52 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -61.18 -46.92 88.49 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.478 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.32 90.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.703 0.287 . . . . 0.0 111.197 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.85 96.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.901 0.381 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.42 -44.12 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.59 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -60.72 -48.96 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.78 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.6 85.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.579 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.0 98.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 110.148 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -45.17 91.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.625 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.74 -41.6 97.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.81 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.5 -46.02 91.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.436 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.05 -43.4 98.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.447 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.534 HD13 ' O ' ' B' ' 64' ' ' LEU . 0.2 OUTLIER -61.68 -52.4 64.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -178.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 80.8 mtp -67.66 -36.71 81.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.042 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 179.618 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 120.941 0.4 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -53.9 -50.12 67.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.186 0.517 . . . . 0.0 109.958 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -44.94 -58.97 2.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.261 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -44.41 -59.42 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 9' ' ' ILE . 9.7 pt -58.22 -49.99 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.728 -178.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.407 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -57.63 -33.4 68.22 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -63.93 -45.5 88.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.091 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.53 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -61.93 -42.5 99.17 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.14 -179.426 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' C ' ' CD ' ' A' ' 13' ' ' LYS . 3.0 tmtt? -60.55 -46.98 88.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.255 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -55.63 -56.62 18.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.329 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.27 -46.46 76.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.935 0.397 . . . . 0.0 110.43 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.85 -50.4 72.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.992 178.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.3 t -58.34 -36.62 73.7 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.35 -43.19 95.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.373 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.8 m-85 -69.01 -50.58 47.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.783 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 36.4 t0 -60.83 82.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.63 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.1 mmmt -66.55 -54.01 28.44 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.532 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 21.4 p-10 -60.84 -18.83 58.07 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -178.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 65.54 42.7 95.52 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.233 178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.443 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 33.7 p-10 -99.65 2.16 44.2 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.847 0.323 . . . . 0.0 111.179 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 91.49 11.55 60.7 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.443 ' HG1' ' CG ' ' A' ' 24' ' ' ASP . 0.8 OUTLIER -144.25 158.52 43.69 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -110.42 134.58 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.595 HG22 ' N ' ' A' ' 29' ' ' THR . 95.2 m -113.35 164.71 13.23 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.189 0.518 . . . . 0.0 111.501 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.595 ' N ' HG22 ' A' ' 28' ' ' THR . 31.7 p -57.05 -45.84 82.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.43 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' H ' HG22 ' A' ' 28' ' ' THR . 51.0 mtpt -68.81 -43.64 75.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.77 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.428 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 85.1 mt-10 -53.91 -54.89 32.4 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.16 -46.58 89.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.639 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.54 -44.88 37.59 Favored Glycine 0 CA--C 1.518 0.225 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.0 m -59.51 -46.96 87.33 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.38 -41.97 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-O 120.818 0.342 . . . . 0.0 110.719 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.479 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 60.0 mmm -66.63 -39.71 88.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.508 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -74.3 -52.58 11.85 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.6 m -50.52 -25.92 4.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.774 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 mt -88.0 -18.03 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.26 14.19 31.28 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HG3' ' H ' ' A' ' 42' ' ' ASN . 21.1 tp60 -92.79 174.97 6.98 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.893 0.378 . . . . 0.0 110.794 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.451 ' H ' ' HG3' ' A' ' 41' ' ' GLN . 6.2 p30 -36.68 104.0 0.26 Allowed Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.364 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.68 -16.86 23.61 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.355 2.037 . . . . 0.0 112.09 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.424 ' OG1' ' OE1' ' A' ' 47' ' ' GLU . 63.1 p -51.8 105.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.672 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 48' ' ' LEU . 68.2 tt0 -72.58 -55.76 6.4 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.397 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -38.44 -36.98 0.27 Allowed 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.465 0.65 . . . . 0.0 109.438 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' OE1' ' OG1' ' A' ' 44' ' ' THR . 85.1 tt0 -60.25 -53.06 62.14 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.481 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' A' ' 45' ' ' GLU . 7.3 mp -59.88 -51.97 67.44 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -46.79 -26.22 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.421 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -79.4 -41.13 28.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.256 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.482 ' O ' HG22 ' A' ' 55' ' ' VAL . 64.4 mtt -61.37 -48.41 81.37 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.694 0.283 . . . . 0.0 110.836 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.411 HD12 HG22 ' A' ' 29' ' ' THR . 2.9 mt -66.13 -43.91 91.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.473 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 95.1 m-20 -65.36 -27.24 68.43 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.892 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -79.99 -48.88 12.65 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.268 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 51' ' ' MET . 30.5 m -71.11 -26.26 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.473 ' OD1' ' O ' ' A' ' 53' ' ' ASN . 51.9 p-10 -86.84 74.21 9.82 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.924 0.392 . . . . 0.0 110.927 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.79 -45.62 20.59 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.767 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.58 -4.77 28.88 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.14 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.45 78.9 1.01 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 30.3 p30 -114.61 -22.67 9.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.446 -0.377 . . . . 0.0 111.344 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.649 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 41.59 102.41 0.01 OUTLIER Glycine 0 C--N 1.344 1.014 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.649 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 23.3 p 96.91 166.06 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 124.49 0.759 . . . . 0.0 110.803 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.4 mm -109.69 119.18 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.009 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -86.38 177.21 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.181 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.552 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -54.18 -52.8 65.54 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.31 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 21.2 Cg_endo -60.34 -54.23 2.32 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.34 2.027 . . . . 0.0 113.597 -177.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -50.78 -50.09 56.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -60.49 -48.09 83.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.426 0.632 . . . . 0.0 110.627 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.53 HD12 ' CD2' ' A' ' 12' ' ' PHE . 3.1 tt -56.87 -25.57 56.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.589 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.6 m . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.49 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.42 96.61 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.63 -40.87 97.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.246 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.3 t -60.09 -45.13 93.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.228 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -63.79 -45.78 88.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.564 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.99 -42.78 94.23 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.41 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.64 91.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.173 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.479 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -62.94 -39.86 95.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 110.7 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -44.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.395 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.27 -49.09 77.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.79 91.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.696 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.37 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.981 0.42 . . . . 0.0 110.018 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -62.63 -44.29 96.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.728 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.2 -42.22 99.29 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.51 89.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.523 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.66 -43.08 97.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.384 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.21 -44.65 96.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 93.8 mtp -67.86 -37.56 82.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.031 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 179.345 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 6' ' ' GLU . 3.8 t . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.415 ' N ' ' OG1' ' A' ' 5' ' ' THR . 79.1 tt0 -62.51 -44.21 96.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.083 0.468 . . . . 0.0 110.311 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.25 -61.0 1.97 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.232 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -46.95 -61.4 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.8 pt -54.73 -49.28 69.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 119.596 -0.842 . . . . 0.0 110.606 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.8 84.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.051 0.453 . . . . 0.0 110.261 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -57.02 -49.54 75.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.111 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.572 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -61.63 -46.19 90.87 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.013 -179.703 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -56.72 -43.76 80.93 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 123.401 0.438 . . . . 0.0 110.696 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.28 -56.79 9.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.531 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -57.79 -39.71 78.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.914 0.387 . . . . 0.0 110.386 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.66 -53.59 55.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.8 t -67.34 -21.88 65.62 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.411 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.8 mt -74.18 -43.9 55.48 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 21' ' ' LYS . 35.7 m-85 -71.89 -58.54 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.639 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.0 t0 -52.66 84.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.439 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.9 mmtp -60.41 -53.5 56.84 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.451 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 55.3 p30 -64.96 -15.97 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.127 0.489 . . . . 0.0 109.893 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 57.35 42.49 93.68 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.438 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -82.64 -14.68 54.29 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.988 0.394 . . . . 0.0 111.111 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.23 -12.54 14.19 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 p -127.18 159.21 34.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.735 0.303 . . . . 0.0 110.209 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.08 138.55 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.671 HG22 ' N ' ' A' ' 29' ' ' THR . 46.6 m -123.33 173.57 7.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.176 0.512 . . . . 0.0 111.41 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.671 ' N ' HG22 ' A' ' 28' ' ' THR . 77.3 p -66.47 -39.02 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.446 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.19 -42.64 65.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.912 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -59.08 -58.25 9.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.056 0.455 . . . . 0.0 109.835 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.349 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.75 -38.76 54.06 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -60.88 -50.37 73.69 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.1 t -62.54 -41.37 91.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-O 121.088 0.471 . . . . 0.0 111.033 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.507 ' SD ' HD21 ' A' ' 48' ' ' LEU . 51.6 mtp -67.78 -45.45 74.78 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.613 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -66.3 -50.73 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -56.45 -22.41 31.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.7 mt -87.37 -17.82 31.46 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.09 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.91 5.31 47.56 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -75.5 157.52 33.88 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.57 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -34.48 96.51 0.1 Allowed Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.472 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.564 ' O ' ' N ' ' A' ' 45' ' ' GLU . 31.8 Cg_exo -56.0 -8.75 2.53 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.401 2.067 . . . . 0.0 111.87 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 46' ' ' ALA . 24.0 p -48.39 83.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.283 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' PRO . 17.5 pt-20 -57.22 -7.68 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.332 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 44' ' ' THR . . . -81.36 -38.99 25.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.284 178.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -58.51 -44.41 89.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.73 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.3 mp -66.08 -54.1 29.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.752 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 76.7 mt-30 -47.36 -37.72 11.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.541 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.8 -43.27 55.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.341 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.0 mmt -64.43 -45.66 86.56 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.917 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.435 HG23 HD11 ' A' ' 63' ' ' ILE . 7.9 mt -66.3 -41.97 89.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 49' ' ' GLN . 77.0 m-20 -56.27 -39.24 72.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -78.56 -44.96 22.92 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.782 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.8 -43.89 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.784 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.582 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 36.3 t0 -45.59 122.21 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.717 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.29 -33.9 20.5 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.101 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -86.87 -7.94 57.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.589 0.233 . . . . 0.0 111.39 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.72 24.81 71.46 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.582 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 45.7 p-10 -84.6 -21.36 30.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.62 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.72 -5.57 54.2 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.9 p -127.69 163.6 23.94 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.667 0.27 . . . . 0.0 110.752 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.435 HD11 HG23 ' A' ' 52' ' ' ILE . 18.2 mm -107.02 116.81 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.324 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.44 179.62 1.6 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.026 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.669 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -73.25 -52.92 5.06 Favored Pre-proline 0 C--O 1.245 0.816 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.14 -179.249 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 37.9 Cg_endo -65.53 -33.37 46.38 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.791 1.661 . . . . 0.0 112.593 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -60.74 -53.65 54.78 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.601 -0.44 . . . . 0.0 112.008 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -58.6 -53.62 56.26 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 121.629 0.728 . . . . 0.0 110.157 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.572 HD12 ' CD2' ' A' ' 12' ' ' PHE . 4.3 tt -63.37 -41.66 98.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.626 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 2.0 m . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.75 91.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.772 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.89 -42.71 99.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.259 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -59.56 -45.13 92.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.228 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -65.88 -44.11 86.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.637 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -64.44 -41.37 96.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.024 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.89 96.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.187 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.35 -41.88 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.48 -43.73 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -59.5 -48.77 80.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.766 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.04 87.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.677 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.11 95.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.045 0.45 . . . . 0.0 110.112 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -63.78 -44.92 91.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.37 -40.2 96.61 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.9 92.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.46 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -63.2 -47.11 83.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.84 -43.31 88.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.5 mmm -68.35 -37.25 80.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.036 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.898 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.758 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 8' ' ' GLN . 7.2 t . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.821 0.343 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.423 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 43.2 tt0 -52.61 -51.41 60.06 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 121.577 0.704 . . . . 0.0 110.131 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 7' ' ' GLU . 1.4 mm-40 -45.73 -58.14 3.71 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.412 ' H ' HG23 ' A' ' 5' ' ' THR . 1.8 tp-100 -42.65 -54.76 3.86 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -176.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.0 pt -60.76 -48.28 89.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.695 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.48 84.78 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -55.55 -42.09 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.191 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.549 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.77 -44.29 96.57 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -62.23 -45.62 92.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.32 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -54.03 -51.98 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.94 -44.16 86.78 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.154 0.502 . . . . 0.0 110.371 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -50.05 75.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.829 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.4 t -57.28 -36.01 70.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.304 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.22 -44.53 95.03 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.394 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 56.1 m-85 -73.88 -39.41 63.94 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.608 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 65.3 t0 -66.69 62.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.07 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.3 mmmt -55.92 -45.93 78.6 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.17 -16.79 35.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 55.49 35.72 62.22 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.895 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -98.5 -11.28 22.44 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.966 0.383 . . . . 0.0 111.364 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.12 7.44 30.82 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.71 151.47 40.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -107.34 128.77 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.568 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 5.3 t -115.81 173.32 6.62 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.061 0.457 . . . . 0.0 110.995 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -55.58 -41.77 73.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.805 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.449 ' H ' HG23 ' A' ' 28' ' ' THR . 59.5 mttp -67.32 -42.19 84.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.768 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' THR . 14.8 mt-10 -57.85 -64.71 0.81 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.933 0.397 . . . . 0.0 110.092 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.97 -49.0 76.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.699 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.75 -45.64 24.57 Favored Glycine 0 CA--C 1.519 0.3 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.7 m -60.22 -48.92 79.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.63 -40.25 85.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.1 mmm -65.25 -41.01 94.74 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.303 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -75.62 -49.37 18.68 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.88 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.4 m -50.48 -20.11 1.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.56 -9.98 59.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.184 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.55 30.93 23.07 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.254 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -94.49 136.69 34.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.98 0.419 . . . . 0.0 110.686 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.438 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.9 p30 -46.93 155.59 0.61 Allowed Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.283 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -46.97 123.89 8.0 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.098 1.866 . . . . 0.0 112.212 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -167.13 16.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.12 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -70.57 -14.82 62.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.346 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.2 -43.43 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.241 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -55.7 -45.99 77.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.483 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -63.6 -47.07 82.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.745 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -48.54 -47.07 39.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.747 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -70.23 -36.5 74.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.209 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.523 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 14.3 mmt -67.94 -43.3 79.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.123 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.2 mt -62.53 -43.41 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -64.3 -35.51 81.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -73.74 -55.28 6.44 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.867 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 51' ' ' MET . 14.3 m -63.88 -20.02 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.628 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 19.8 t70 -53.04 135.95 36.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 110.467 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.18 -45.1 70.82 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.431 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -101.02 9.32 42.34 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 111.552 0.205 . . . . 0.0 111.552 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 61.93 20.43 60.01 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.421 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 19.7 t-20 -91.08 -18.6 24.29 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.588 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.727 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 90.72 154.79 30.73 Favored Glycine 0 C--O 1.221 -0.697 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.727 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 38.3 p 100.38 140.85 0.01 OUTLIER 'General case' 0 C--N 1.349 0.573 0 O-C-N 124.726 0.897 . . . . 0.0 110.971 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.8 mm -111.93 134.9 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -99.55 173.83 6.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.993 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -53.63 -53.46 56.93 Favored Pre-proline 0 CA--C 1.545 0.768 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.391 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 29.1 Cg_endo -62.78 -51.13 3.29 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.205 1.936 . . . . 0.0 112.942 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -59.38 -38.89 81.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.405 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 19.6 t80 -58.62 -47.99 82.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.546 0.689 . . . . 0.0 109.958 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.29 -48.52 81.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.323 -0.554 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.661 -178.47 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.523 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.38 99.35 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.012 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.51 -41.16 98.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.248 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 66.6 m -58.98 -45.12 91.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.426 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -64.37 -45.41 87.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.462 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.35 -40.4 95.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.365 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.29 93.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.611 0.243 . . . . 0.0 111.082 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.32 94.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.29 -43.61 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.98 -47.39 86.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.783 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.16 82.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.79 96.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 0.0 110.044 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -65.03 -41.04 95.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.892 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.01 -44.25 93.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.951 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.38 -41.21 93.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.432 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.47 -45.27 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.608 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.3 -45.35 93.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 3.5 tpt -67.77 -37.77 82.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.821 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 179.814 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -63.19 -40.49 97.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.543 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -82.78 134.47 35.12 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.619 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tp -74.34 159.33 32.54 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.802 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 t -173.0 173.28 3.75 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.25 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -50.76 -55.12 18.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 110.099 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' OE2' ' OE1' ' A' ' 11' ' ' GLU . 47.3 tp10 -44.5 -56.51 4.24 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -45.53 -59.61 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 pt -57.24 -49.0 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.402 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.48 73.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.06 0.457 . . . . 0.0 109.811 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' OE1' ' OE2' ' A' ' 7' ' ' GLU . 27.8 tp10 -62.35 -45.39 93.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.963 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.518 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.05 -44.24 97.11 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.418 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' C ' ' CD ' ' A' ' 13' ' ' LYS . 4.7 tmtt? -61.66 -46.9 87.75 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.171 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -56.89 -55.72 30.82 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.524 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -56.2 -44.26 79.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.998 0.428 . . . . 0.0 110.42 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -50.76 72.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.834 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -57.05 -36.0 69.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.949 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.83 -43.37 88.77 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.464 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' LYS . 60.5 m-85 -68.96 -50.36 49.83 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.719 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 39.2 t0 -60.12 78.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.69 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.4 mmmt -64.34 -53.25 51.67 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.4 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 52.0 p-10 -61.75 -17.15 54.83 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.647 -0.421 . . . . 0.0 109.954 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 62.62 41.59 99.79 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.946 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -92.7 -5.15 51.95 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 117.044 0.422 . . . . 0.0 110.946 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.47 ' O ' ' CE2' ' A' ' 65' ' ' PHE . . . 100.52 0.98 55.48 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -139.92 160.73 39.26 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.9 mt -107.66 142.01 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.599 HG22 ' N ' ' A' ' 29' ' ' THR . 97.6 m -125.29 163.95 21.42 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.148 0.499 . . . . 0.0 110.941 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.599 ' N ' HG22 ' A' ' 28' ' ' THR . 37.6 p -55.37 -45.29 76.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.554 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.27 -42.12 88.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.823 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -58.01 -58.74 7.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.0 0.429 . . . . 0.0 110.088 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.436 HD22 ' CH2' ' B' ' 52' ' ' TRP . 47.5 tp -62.32 -48.19 80.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.34 -44.75 28.14 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.9 m -60.65 -47.23 87.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.35 -41.2 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 CA-C-O 120.859 0.361 . . . . 0.0 110.705 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtp -64.95 -38.73 91.92 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.24 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -73.37 -50.66 20.76 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.045 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.3 t -53.31 -32.32 48.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.891 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.3 mt -74.34 -17.82 60.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.298 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.31 18.07 53.9 Favored Glycine 0 N--CA 1.463 0.443 0 N-CA-C 111.748 -0.541 . . . . 0.0 111.748 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -101.69 173.04 6.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.695 0.283 . . . . 0.0 111.019 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -36.22 101.1 0.21 Allowed Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.292 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' O ' ' N ' ' A' ' 45' ' ' GLU . 57.6 Cg_endo -77.63 18.02 0.88 Allowed 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.328 2.018 . . . . 0.0 112.178 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 t -60.46 71.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.366 0.603 . . . . 0.0 111.01 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 43' ' ' PRO . 67.4 tt0 -62.11 -11.72 15.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.496 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.09 -42.99 30.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.697 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -58.98 -45.2 91.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.644 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -63.84 -52.63 59.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.998 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -47.4 -38.43 13.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -75.18 -41.1 58.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.2 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.568 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 17.6 mmt -66.8 -44.32 81.58 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.14 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.465 HD12 HG22 ' A' ' 29' ' ' THR . 36.8 mt -63.42 -43.06 98.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -53.57 -19.55 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.758 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -92.84 -60.44 1.81 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.601 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.7 m -63.54 -21.69 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 40.2 p-10 -51.39 109.53 0.35 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.906 0.384 . . . . 0.0 110.665 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -50.65 64.1 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.116 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -81.7 -18.71 43.44 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.617 0.246 . . . . 0.0 111.412 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.16 19.73 68.92 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -81.1 -9.85 59.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.366 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.05 19.62 58.92 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.7 p -132.82 156.67 46.71 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 110.714 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 52' ' ' ILE . 27.2 mm -106.98 122.34 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.297 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -82.0 171.01 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.302 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -52.79 -52.74 61.77 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.31 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 20.6 Cg_endo -58.25 -48.58 15.22 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 122.111 1.874 . . . . 0.0 113.494 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -53.51 -51.87 61.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.218 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.31 -47.78 82.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.241 0.544 . . . . 0.0 110.399 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD12 ' CD2' ' A' ' 12' ' ' PHE . 3.4 tt -59.11 -27.15 65.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.668 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -86.23 -66.39 0.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.4 ptp -48.63 -19.01 0.3 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.962 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -87.36 -25.18 23.98 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.93 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.94 7.17 43.35 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.858 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -57.78 -60.3 3.91 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.941 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -131.72 -143.67 0.24 Allowed 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' A' ' 76' ' ' MET . 0.0 OUTLIER 68.09 68.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.169 0.509 . . . . 0.0 109.98 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 76' ' ' MET . 17.7 mmtp . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.058 -0.973 . . . . 0.0 110.623 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.5 p -81.42 166.71 20.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.871 0.367 . . . . 0.0 110.501 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.53 -24.12 0.75 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.568 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -63.08 -47.17 84.06 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.49 93.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 110.963 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.77 -43.32 99.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.385 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' B' ' 48' ' ' ALA . 79.3 p -61.77 -42.76 99.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.209 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' TRP . . . . . 0.436 ' CH2' HD22 ' A' ' 32' ' ' LEU . 13.0 m95 -64.26 -47.78 78.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -66.88 -40.33 87.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.475 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.39 98.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.115 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.19 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.732 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.04 -43.86 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -62.61 -45.64 91.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.461 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.65 -38.15 80.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 110.502 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.66 80.79 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.195 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -65.35 -36.55 84.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.583 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -55.9 -45.68 78.59 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.2 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.157 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -61.26 -46.88 88.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.28 -42.84 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.794 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.6 mmm -67.73 -37.33 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.92 21.54 61.13 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.858 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 26.4 p -74.48 161.38 29.83 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 122.617 -0.343 . . . . 0.0 110.684 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.698 179.927 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 43.86 -101.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.711 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.473 ' O ' ' O ' ' A' ' 4' ' ' LEU . 5.4 mm-40 -156.34 98.41 1.84 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 3' ' ' GLN . 1.5 tp 42.56 -171.6 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.538 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 4' ' ' LEU . 4.7 m -168.73 165.8 11.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.283 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' N ' HG22 ' A' ' 5' ' ' THR . 83.9 tt0 -54.69 -52.47 62.28 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 121.291 0.567 . . . . 0.0 110.406 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.443 ' HG3' ' H ' ' A' ' 8' ' ' GLN . 4.9 pt-20 -45.01 -55.28 5.69 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 87.9 mm-40 -45.79 -59.01 3.03 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 ' H ' ' A' ' 9' ' ' ILE . 9.6 pt -56.69 -47.71 82.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.499 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.99 89.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.958 0.409 . . . . 0.0 110.127 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -57.0 -45.15 83.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.51 -44.14 97.11 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -43.52 95.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.72 -55.09 33.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.3 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.66 -42.12 74.61 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.028 0.442 . . . . 0.0 110.377 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -50.03 74.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 t -57.29 -34.28 68.52 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.088 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.71 -42.63 81.66 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.528 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.6 m-85 -72.22 -52.98 13.94 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.892 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 39.7 t0 -56.22 85.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.672 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -65.94 -54.22 29.1 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.573 -179.649 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 31.3 p-10 -63.52 -17.03 62.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.57 42.22 99.72 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.009 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 24.4 p-10 -93.08 -0.76 56.99 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 117.199 0.5 . . . . 0.0 111.128 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.56 4.98 56.99 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.494 -0.643 . . . . 0.0 111.494 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 1.7 p -142.34 163.91 31.57 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -112.78 136.78 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.603 HG22 ' N ' ' A' ' 29' ' ' THR . 62.8 m -114.0 166.2 11.85 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.87 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.603 ' N ' HG22 ' A' ' 28' ' ' THR . 43.9 p -61.61 -44.3 97.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.473 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -67.37 -41.49 84.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -56.12 -57.47 12.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.832 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.75 -47.32 85.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.825 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.65 -44.12 29.61 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -61.52 -46.4 90.1 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.44 -38.38 81.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.479 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 58.6 mmm -66.71 -47.5 72.15 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.367 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -67.8 -48.57 65.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.915 0.388 . . . . 0.0 110.504 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.1 m -54.16 -22.74 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.568 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.8 mt -93.35 -16.69 24.38 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.976 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.22 5.65 57.07 Favored Glycine 0 N--CA 1.467 0.706 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -75.02 152.37 38.7 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 43' ' ' PRO . 8.2 t-20 -35.29 98.98 0.16 Allowed Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.369 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.463 ' O ' ' O ' ' A' ' 42' ' ' ASN . 36.0 Cg_exo -55.1 -143.18 0.0 OUTLIER 'Trans proline' 0 N--CA 1.501 1.935 0 C-N-CA 122.675 2.25 . . . . 0.0 112.308 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m 71.58 113.56 0.06 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.67 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' ALA . 11.0 pt-20 -82.04 -45.77 14.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.255 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -39.47 -41.85 1.03 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -58.59 -59.47 5.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.668 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.508 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.2 mm? -60.33 -51.27 70.25 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.798 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -47.39 -29.48 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.341 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -80.33 -41.6 24.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.431 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.529 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 25.0 mmt -67.63 -44.19 78.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.592 HG22 ' OD2' ' A' ' 56' ' ' ASP . 34.7 mt -64.71 -43.42 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.876 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -53.06 -30.51 36.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.761 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -73.98 -53.88 9.11 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.455 HG22 ' H ' ' A' ' 55' ' ' VAL . 5.0 m -69.92 -25.01 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.592 ' OD2' HG22 ' A' ' 52' ' ' ILE . 75.9 m-20 -50.38 116.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.03 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.56 -43.5 72.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.82 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -99.97 -0.09 40.05 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.674 0.273 . . . . 0.0 111.262 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.16 23.93 74.68 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -72.02 -22.93 61.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.227 0.536 . . . . 0.0 110.439 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.19 16.9 42.09 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.5 p -136.24 158.39 44.53 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.682 0.277 . . . . 0.0 110.889 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.519 HD11 HG23 ' A' ' 52' ' ' ILE . 24.9 mm -103.98 120.6 54.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.044 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -82.49 176.02 9.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.353 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.459 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.3 m-85 -50.88 -65.74 0.84 Allowed Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.082 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.9 Cg_endo -57.25 -45.38 35.49 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.527 2.151 . . . . 0.0 113.322 -178.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -48.37 -54.9 12.26 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.23 -47.07 87.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.09 0.471 . . . . 0.0 110.7 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 12' ' ' PHE . 3.0 tt -58.62 -27.46 64.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.742 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.7 m -87.2 -62.1 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.5 ptp -52.15 -18.55 1.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.775 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.7 ptm -87.71 -28.38 21.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.229 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.59 20.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.479 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -106.86 3.35 26.22 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -56.16 -44.97 79.82 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.563 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 67.3 mtt -86.18 -166.84 1.66 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.692 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 mptt . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.089 179.44 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.439 0 N-CA-C 109.526 -1.429 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 45.9 p -66.09 -33.26 75.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.798 0.332 . . . . 0.0 110.32 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.55 -50.61 4.26 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.529 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -60.62 -50.33 73.95 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.6 99.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.943 0.402 . . . . 0.0 110.909 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.563 ' O ' HD13 ' B' ' 50' ' ' LEU . 0.2 OUTLIER -63.33 -41.93 98.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.781 -179.638 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.6 t -57.32 -45.74 83.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.007 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -69.5 -45.41 68.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.954 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -61.82 -47.66 84.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.433 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.159 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.479 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -63.93 -45.79 87.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.956 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.39 -44.67 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.16 -45.62 87.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.65 78.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.693 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.63 77.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.174 0.511 . . . . 0.0 110.001 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -65.14 -40.95 95.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.663 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -52.72 -42.89 65.28 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.12 83.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.168 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -61.85 -47.42 85.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.503 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 49.5 tp -62.77 -46.38 88.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 4.1 mmt -69.1 -36.89 78.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.077 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.83 17.58 61.33 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 11.7 t -60.54 -43.5 97.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.026 0.441 . . . . 0.0 110.098 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.794 179.859 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -90.05 107.44 19.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.331 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -137.32 153.85 50.18 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.255 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.482 ' HG ' ' H ' ' A' ' 5' ' ' THR . 1.6 tp -70.02 174.82 4.95 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.482 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 5.1 t -173.64 172.64 3.55 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.603 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 77.8 tt0 -53.98 -55.2 29.36 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 121.56 0.695 . . . . 0.0 110.211 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -43.75 -57.94 2.96 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.545 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.405 ' H ' HG23 ' A' ' 5' ' ' THR . 5.2 tp-100 -43.65 -61.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.43 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.6 pt -53.14 -49.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.023 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -60.37 -40.28 90.26 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.126 0.489 . . . . 0.0 109.928 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -56.87 -47.92 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.132 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.79 -39.91 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.375 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.15 -43.09 82.15 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.918 0.389 . . . . 0.0 110.189 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.41 -56.94 10.92 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.097 0.475 . . . . 0.0 109.882 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -54.62 -37.82 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.027 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -52.13 67.07 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.343 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.4 m -57.01 -30.2 63.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.629 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.6 mt -72.37 -44.64 62.26 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.807 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 52.0 m-85 -68.89 -55.1 12.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.658 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.486 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 31.8 t0 -55.66 85.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.503 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 19' ' ' PHE . 30.5 mmtt -64.11 -57.75 8.68 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.733 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 9.1 p30 -61.1 -18.02 55.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.962 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 64.29 44.58 95.28 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.822 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 24.3 p-10 -92.75 -5.05 52.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.898 0.349 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 100.03 5.65 54.64 Favored Glycine 0 N--CA 1.466 0.674 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.408 ' HG1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p -138.43 172.19 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.222 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.4 mt -127.47 150.19 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.659 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' A' ' 31' ' ' GLU . 6.1 t -143.48 178.4 7.79 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.005 0.431 . . . . 0.0 111.089 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.461 HG22 HD12 ' A' ' 52' ' ' ILE . 52.4 p -58.05 -44.1 87.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.968 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.428 ' H ' HG23 ' A' ' 28' ' ' THR . 59.7 mttp -65.15 -44.71 87.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.022 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HB2' ' H ' ' A' ' 28' ' ' THR . 26.4 mt-10 -60.52 -62.28 1.98 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.966 0.413 . . . . 0.0 110.013 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.99 -48.45 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.821 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.79 -43.93 30.43 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.3 m -59.69 -50.53 73.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.7 t -59.22 -42.75 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.587 0.232 . . . . 0.0 111.02 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 39.2 mtp -66.65 -41.1 88.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.82 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -68.77 -53.02 24.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.551 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.1 m -48.99 -31.71 7.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.745 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.0 mt -74.57 -16.8 60.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.86 21.18 10.48 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 112.146 -0.382 . . . . 0.0 112.146 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -80.15 117.74 21.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.073 0.463 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.465 ' O ' HG23 ' A' ' 44' ' ' THR . 5.8 m120 -37.91 152.8 0.14 Allowed Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.541 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -41.72 104.02 0.05 OUTLIER 'Trans proline' 0 N--CA 1.487 1.137 0 C-N-CA 122.263 1.975 . . . . 0.0 111.661 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 42' ' ' ASN . 14.2 p -131.24 5.32 4.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.712 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -46.79 -24.75 0.62 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.402 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.95 -42.66 38.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.071 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -54.77 -46.19 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.487 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 48' ' ' LEU . 7.5 mp -59.8 -55.36 35.21 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.949 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -45.68 -42.44 11.61 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -76.7 -43.03 39.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.395 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.0 mmt -63.63 -48.32 77.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.101 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.461 HD12 HG22 ' A' ' 29' ' ' THR . 28.7 mt -63.55 -43.09 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 46.3 t-20 -50.79 -39.36 52.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.916 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -73.06 -51.84 16.57 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.694 0.283 . . . . 0.0 111.401 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 m -92.65 24.36 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' OD2' ' CA ' ' A' ' 59' ' ' GLY . 13.0 t70 -65.63 -32.72 74.44 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.088 0.47 . . . . 0.0 110.901 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.79 -65.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.7 t0 -73.03 -29.26 62.86 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.605 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.501 ' CA ' ' OD2' ' A' ' 56' ' ' ASP . . . 83.26 12.88 78.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.497 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 41.3 p30 -83.38 -16.78 44.62 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.876 0.37 . . . . 0.0 110.681 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.491 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 94.49 11.14 57.41 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.411 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 59.0 p -132.0 156.6 45.94 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.155 0.502 . . . . 0.0 111.176 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.434 HD11 HG23 ' A' ' 52' ' ' ILE . 26.0 mm -101.75 116.31 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.221 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -75.52 176.0 7.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.432 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 m-85 -51.28 -65.73 0.87 Allowed Pre-proline 0 C--O 1.239 0.552 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.295 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.8 Cg_endo -57.27 -47.19 23.49 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.56 2.174 . . . . 0.0 113.038 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -46.32 -52.18 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 30.2 t80 -61.91 -48.7 79.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.228 0.537 . . . . 0.0 110.387 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.06 -27.11 30.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.476 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 m -85.37 -70.83 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.964 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.6 ptp -51.84 -17.46 0.96 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.391 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.478 ' SD ' ' C ' ' A' ' 72' ' ' MET . 2.9 ppp? -90.45 -31.31 16.86 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.892 0.377 . . . . 0.0 111.583 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.82 1.35 17.62 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.315 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.64 -63.74 1.17 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.476 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 57.75 -166.39 0.15 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.197 0.522 . . . . 0.0 111.274 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 98.9 mmm -122.37 -80.76 0.63 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.404 0.621 . . . . 0.0 110.14 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.1 pttm . . . . . 0 C--N 1.322 -0.63 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.078 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.507 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 76.8 p 39.67 88.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.567 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.86 -116.51 5.37 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . 34.66 -101.99 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.2 97.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.951 0.405 . . . . 0.0 111.184 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.9 -40.01 95.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.25 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -59.68 -48.09 83.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.481 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -72.22 -46.46 56.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.437 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -60.33 -49.22 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.417 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.53 91.48 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.763 0.316 . . . . 0.0 111.178 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.9 96.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.957 0.408 . . . . 0.0 110.793 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.89 -43.85 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -61.03 -49.2 78.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.746 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.45 86.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.91 99.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.13 0.49 . . . . 0.0 109.985 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -66.29 -39.16 89.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.101 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -62.4 -41.66 98.84 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.07 -47.76 83.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.323 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -65.67 -35.69 81.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.539 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.05 -44.93 96.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.26 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 79.0 mtm -66.8 -36.58 82.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.978 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.53 5.47 61.65 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 7.7 m -70.2 146.17 50.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.913 0.357 . . . . 0.0 110.553 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.22 -179.847 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -84.64 13.56 5.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.146 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -137.58 -178.64 5.33 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.507 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 tp 37.33 78.83 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.21 0.528 . . . . 0.0 111.875 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 7' ' ' GLU . 11.5 t -77.8 -171.48 2.26 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.253 -178.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.491 ' HA ' HD11 ' A' ' 9' ' ' ILE . 80.5 tt0 -61.49 -45.31 94.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.2 0.524 . . . . 0.0 110.568 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.449 ' H ' HG23 ' A' ' 5' ' ' THR . 75.1 tt0 -45.66 -62.03 1.46 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -47.23 -58.66 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 6' ' ' GLU . 5.5 pt -56.92 -50.87 74.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.688 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.13 77.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.176 0.512 . . . . 0.0 109.891 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -61.89 -45.67 92.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.085 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -64.55 -44.3 91.22 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.562 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -57.2 -44.51 83.74 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.393 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.82 -56.48 17.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -54.24 -47.31 72.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.284 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -55.94 -51.83 66.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.528 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 5.9 t -57.29 -36.14 70.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.66 -42.74 95.2 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.445 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 21' ' ' LYS . 61.9 m-85 -69.76 -51.64 32.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.871 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 35.4 t0 -61.07 76.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.54 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.0 mmmt -60.36 -52.66 64.29 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.314 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 22.6 p-10 -63.42 -17.24 62.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.992 0.425 . . . . 0.0 109.895 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 61.43 43.42 99.36 Favored Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.827 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -91.64 -3.23 56.59 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 117.008 0.404 . . . . 0.0 110.971 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . . . 99.9 6.89 53.81 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -144.41 173.33 11.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -121.37 139.08 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.648 HG22 ' N ' ' A' ' 29' ' ' THR . 86.0 m -119.24 168.24 11.08 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.016 0.436 . . . . 0.0 111.075 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.648 ' N ' HG22 ' A' ' 28' ' ' THR . 69.1 p -60.36 -43.11 96.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.556 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.62 -41.87 78.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.762 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -57.85 -59.09 5.77 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 tp -62.63 -48.4 79.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.797 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.55 -43.74 36.7 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -61.37 -46.5 89.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.8 t -61.81 -37.77 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.013 0.435 . . . . 0.0 110.759 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.3 mtp -65.92 -50.57 63.97 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.434 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -66.2 -47.82 72.64 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.182 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.2 p -51.12 -27.38 8.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.2 mt -82.01 -12.32 58.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.233 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 16.41 42.73 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.411 HE22 ' HA ' ' B' ' 55' ' ' ALA . 86.9 mt-30 -80.73 132.43 35.55 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.97 0.414 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -38.62 155.77 0.12 Allowed Pre-proline 0 N--CA 1.467 0.411 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.234 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.56 117.26 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.506 2.138 . . . . 0.0 111.585 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 t -150.79 11.67 0.67 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.356 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -55.46 -20.21 11.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.217 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.23 -42.31 55.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.224 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -57.33 -48.85 77.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.012 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.3 mm? -60.29 -51.02 71.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.682 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -45.84 -40.93 10.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.418 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -71.6 -39.84 70.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.992 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.454 ' O ' HG23 ' A' ' 55' ' ' VAL . 22.4 mtm -68.66 -45.29 72.13 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.77 0.319 . . . . 0.0 111.225 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.529 HD12 HG22 ' A' ' 29' ' ' THR . 75.3 mt -62.27 -42.66 96.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.437 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 33.4 t-20 -50.41 -26.38 4.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.683 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -98.15 -38.94 9.12 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.53 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 51' ' ' MET . 90.9 t -62.45 -44.58 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.629 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 10.2 t70 -47.91 129.18 14.32 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.856 0.36 . . . . 0.0 110.664 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.33 -42.06 60.06 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.026 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -95.67 1.63 53.63 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.459 0.171 . . . . 0.0 111.155 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.546 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 71.16 25.64 75.23 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -74.63 -22.18 59.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.966 0.412 . . . . 0.0 110.554 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.9 20.62 49.61 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.6 p -131.74 153.11 50.4 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.811 0.339 . . . . 0.0 110.792 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.403 HD11 HG23 ' A' ' 52' ' ' ILE . 26.4 mm -105.94 120.36 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.363 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -78.5 172.2 14.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.203 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.542 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -54.43 -52.33 70.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.352 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 21.3 Cg_endo -59.37 -51.71 5.96 Favored 'Trans proline' 0 N--CA 1.503 2.03 0 C-N-CA 122.359 2.04 . . . . 0.0 113.352 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -48.79 -50.35 34.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 31.6 t80 -61.3 -49.33 77.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.185 0.516 . . . . 0.0 110.71 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD12 ' CD2' ' A' ' 12' ' ' PHE . 2.8 tt -53.6 -27.48 26.95 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.34 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.7 m -82.62 -70.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.711 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.593 ' SD ' ' NE1' ' B' ' 52' ' ' TRP . 6.7 ptp -50.88 -18.61 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.593 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 72' ' ' MET . 2.7 ppp? -90.61 -32.16 16.37 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.807 0.336 . . . . 0.0 111.668 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.551 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -60.3 -36.53 78.09 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.484 -178.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.422 ' HG2' ' H ' ' A' ' 74' ' ' ARG . 9.3 ptm180 -63.46 6.81 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.682 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.551 ' H ' ' C ' ' A' ' 73' ' ' ALA . 88.8 tttt -32.66 151.33 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.421 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -48.46 138.9 9.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.72 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 117.959 -1.02 . . . . 0.0 109.981 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 18.2 p -80.45 166.47 21.2 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.83 0.347 . . . . 0.0 110.376 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.99 72.29 0.46 Allowed Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.54 91.73 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.56 97.9 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 111.041 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.11 -40.78 98.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.145 0.497 . . . . 0.0 110.124 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 66.2 m -60.71 -45.37 94.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.244 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' TRP . . . . . 0.593 ' NE1' ' SD ' ' A' ' 71' ' ' MET . 19.5 m95 -70.26 -51.01 33.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.85 -45.63 88.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.444 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.07 92.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.026 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.411 ' HA ' HE22 ' A' ' 41' ' ' GLN . . . -64.98 -42.01 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.53 -43.58 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.67 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.74 -45.64 93.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.795 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.79 88.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.483 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.83 94.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.122 0.487 . . . . 0.0 109.989 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -63.25 -44.3 95.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.598 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -61.27 -39.95 92.28 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.94 -47.22 87.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.368 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -64.6 -40.78 96.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.309 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.634 HD23 ' O ' ' B' ' 64' ' ' LEU . 1.5 tt -62.32 -40.68 97.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.413 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 38.6 tpp -64.81 -24.18 67.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.876 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.53 15.23 57.27 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 25.4 p -73.45 162.5 29.21 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.655 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.599 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -126.76 98.76 5.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.805 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -153.6 158.08 40.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.514 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.411 ' O ' ' OG1' ' A' ' 5' ' ' THR . 1.2 tp 48.03 -170.93 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.562 HG22 ' N ' ' A' ' 6' ' ' GLU . 90.7 m -168.48 164.46 12.62 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.591 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.562 ' N ' HG22 ' A' ' 5' ' ' THR . 42.9 tp10 -50.81 -55.52 16.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.261 0.553 . . . . 0.0 110.484 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 8' ' ' GLN . 13.9 pt-20 -44.41 -55.93 4.63 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.996 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.508 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 96.0 mm-40 -43.07 -58.18 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.6 pt -57.87 -47.96 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.476 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -55.88 -48.3 75.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.989 -0.444 . . . . 0.0 110.014 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -53.4 -43.36 67.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.32 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.58 -44.24 96.8 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 110.294 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -65.63 -37.88 87.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.449 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.11 -56.33 13.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.422 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.55 -44.29 72.76 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.088 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.626 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -57.1 -51.74 68.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.713 179.333 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.549 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 54.5 m -54.01 -34.82 60.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.393 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.507 HD13 ' HB1' ' B' ' 59' ' ' ALA . 97.0 mt -66.73 -42.89 85.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.545 ' O ' ' N ' ' A' ' 21' ' ' LYS . 47.2 m-85 -73.92 -47.45 37.68 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.964 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 61.2 t0 -61.81 69.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.094 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.8 mmmt -56.18 -47.76 77.69 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.229 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.7 -18.37 59.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.11 38.56 61.35 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.782 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -92.74 -12.38 31.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 117.02 0.41 . . . . 0.0 111.234 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.64 1.26 23.03 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.7 p -142.52 154.58 44.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.308 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.63 126.8 52.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.554 HG22 ' N ' ' A' ' 29' ' ' THR . 61.9 m -108.15 163.18 13.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.025 0.44 . . . . 0.0 111.068 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.554 ' N ' HG22 ' A' ' 28' ' ' THR . 9.9 p -58.0 -38.24 75.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.62 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -72.59 -35.58 67.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.587 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 28' ' ' THR . 49.8 mt-10 -63.8 -64.41 0.9 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.194 0.521 . . . . 0.0 110.447 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.941 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.19 -38.52 89.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.79 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.941 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -58.51 -42.4 95.91 Favored Glycine 0 C--N 1.329 0.167 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.9 m -60.23 -45.58 92.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.4 t -59.11 -34.86 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 120.927 0.394 . . . . 0.0 110.719 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.619 ' HG3' HD21 ' A' ' 48' ' ' LEU . 38.5 mmt -66.77 -41.05 88.35 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.228 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -48.98 52.6 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.61 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.6 m -52.2 -25.37 9.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.589 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.1 mt -81.32 -16.95 50.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.79 27.35 9.69 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' OE1' ' SD ' ' A' ' 36' ' ' MET . 88.3 mt-30 -89.96 123.15 33.63 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.09 0.472 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -37.34 154.79 0.1 OUTLIER Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.507 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.39 132.91 41.5 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.921 1.747 . . . . 0.0 111.965 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.0 t -169.82 25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.338 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.4 -15.76 12.01 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.503 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.34 -40.66 26.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.341 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -61.57 -42.17 98.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.626 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.619 HD21 ' HG3' ' A' ' 36' ' ' MET . 5.5 mp -64.0 -53.04 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.985 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -49.39 -36.27 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.14 -43.97 77.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.21 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 55' ' ' VAL . 56.4 mtt -62.19 -50.4 71.95 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.048 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.89 -42.86 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.382 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -50.68 -31.4 16.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.736 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -101.0 -41.31 6.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.406 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 51' ' ' MET . 73.1 t -65.56 -43.31 94.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 67.5 t0 -41.07 134.35 2.05 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.963 0.411 . . . . 0.0 110.83 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . -69.82 -44.95 68.94 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.299 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -97.31 3.97 51.01 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.534 0.207 . . . . 0.0 111.365 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.84 24.55 62.66 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.529 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 94.8 m-20 -73.3 -22.02 60.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 0.0 110.452 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.71 -0.19 30.55 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 p -132.96 167.76 19.68 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.049 0.452 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.8 mt -111.7 134.92 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.221 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -87.38 174.5 8.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.734 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.626 ' CZ ' ' CZ ' ' A' ' 16' ' ' PHE . 4.4 m-85 -54.68 -66.19 1.04 Allowed Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.039 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 18.9 Cg_endo -56.23 -46.23 32.17 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.555 2.17 . . . . 0.0 113.017 -177.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -48.09 -50.33 28.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.14 -47.48 86.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.177 0.513 . . . . 0.0 110.282 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD12 ' CD2' ' A' ' 12' ' ' PHE . 1.2 tt -54.0 -27.63 32.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.658 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.3 m -86.16 -69.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.06 0.457 . . . . 0.0 111.975 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 ptp -47.11 -17.13 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.71 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -88.94 -26.71 21.39 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.358 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.89 22.83 0.73 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.46 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -92.0 4.93 51.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.03 0.443 . . . . 0.0 110.504 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -138.93 144.61 39.13 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.584 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 95.5 mtp -115.03 -31.16 6.14 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.957 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.29 179.86 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 43.3 p -135.24 155.5 50.55 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.037 0.446 . . . . 0.0 110.222 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' B' ' 50' ' ' LEU . . . 55.14 -148.25 25.0 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . 31.37 -104.54 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.96 90.15 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 111.26 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' B' ' 47' ' ' GLY . 55.5 tp -62.91 -41.93 99.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.229 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.6 t -60.58 -45.71 92.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.339 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -68.48 -43.04 77.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.616 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.92 -50.12 74.7 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.35 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.77 85.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.694 0.283 . . . . 0.0 110.976 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.17 -45.84 91.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.983 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.28 -43.71 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.392 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.46 -45.71 93.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.75 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.79 -40.39 79.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ALA . . . . . 0.507 ' HB1' HD13 ' A' ' 18' ' ' LEU . . . -63.77 -40.37 96.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.64 -42.25 98.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.861 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -64.87 -40.44 95.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.42 85.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.583 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.69 -46.93 85.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.424 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 53.0 tp -63.06 -43.54 98.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.033 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 58.8 mmm -66.12 -38.2 87.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.899 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.29 2.46 87.49 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.801 -0.52 . . . . 0.0 111.801 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 10.3 p -157.28 163.64 38.51 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.939 0.399 . . . . 0.0 110.73 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.355 179.859 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 39.8 p-10 -90.15 5.78 45.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.947 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -134.17 162.39 32.28 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.464 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 5' ' ' THR . 6.1 tt -83.06 164.77 20.1 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.25 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.528 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.8 t -172.59 174.89 3.62 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.59 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -51.02 -55.15 18.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.159 0.504 . . . . 0.0 109.783 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.424 ' OE2' ' OE1' ' A' ' 11' ' ' GLU . 45.4 tp10 -44.43 -53.45 6.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.637 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -45.0 -59.75 2.42 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.408 HG13 ' H ' ' A' ' 10' ' ' ALA . 10.2 pt -55.75 -47.77 78.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.509 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.23 -35.16 78.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.114 0.483 . . . . 0.0 109.995 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' OE1' ' OE2' ' A' ' 7' ' ' GLU . 32.7 tp10 -58.81 -47.76 83.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.137 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.525 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.44 -41.57 96.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.303 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -57.94 -47.23 83.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.33 -55.21 37.9 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.488 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.89 -42.48 76.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.93 0.395 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.03 -51.03 71.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.6 m -56.92 -34.77 68.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.172 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.31 -43.48 86.14 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.194 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' LYS . 63.8 m-85 -68.35 -49.16 62.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.853 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 40.5 t0 -63.28 79.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.405 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PHE . 23.1 mmmt -62.17 -52.95 61.74 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.535 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 23.9 p-10 -63.62 -17.03 62.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.048 0.451 . . . . 0.0 109.821 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.92 42.65 99.75 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.991 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.405 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 34.6 p-10 -93.42 -2.35 54.72 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.216 0.508 . . . . 0.0 111.149 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.99 8.81 53.55 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 2.0 p -143.54 164.82 29.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.131 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.8 mt -115.51 137.22 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 29' ' ' THR . 80.0 m -118.95 168.84 10.41 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.029 0.443 . . . . 0.0 111.14 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.645 ' N ' HG22 ' A' ' 28' ' ' THR . 62.2 p -61.67 -44.59 96.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -66.73 -42.3 86.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.772 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 90.9 mt-10 -57.52 -57.07 14.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.025 0.44 . . . . 0.0 109.86 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.57 -45.82 92.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.561 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.84 -43.46 48.07 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -59.86 -47.35 86.09 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.25 -37.02 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.045 0.45 . . . . 0.0 110.523 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mtp -66.56 -40.18 88.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.209 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.61 -51.12 37.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.409 . . . . 0.0 110.736 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 t -53.11 -23.99 9.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.481 HD22 ' HB1' ' B' ' 58' ' ' ALA . 56.7 mt -83.86 -19.65 34.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.997 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.5 21.8 55.48 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.039 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -108.93 145.61 35.14 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.424 -0.456 . . . . 0.0 110.652 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.464 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.6 OUTLIER -36.02 100.45 0.2 Allowed Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.131 -179.388 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -80.6 -95.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.272 1.982 . . . . 0.0 112.149 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m 68.17 111.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.063 0.458 . . . . 0.0 110.529 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 46' ' ' ALA . 1.3 pt-20 -68.41 -53.31 24.58 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.327 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -38.88 -46.27 1.28 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.127 0.489 . . . . 0.0 109.724 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.05 -55.72 31.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.816 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.02 -52.59 64.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.647 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -46.86 -29.98 2.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.171 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -80.9 -42.81 20.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.153 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.9 mmt -66.98 -44.75 79.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.773 0.32 . . . . 0.0 111.013 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.525 HD12 HG22 ' A' ' 29' ' ' THR . 29.1 mt -65.38 -43.99 94.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -60.21 -39.93 88.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.73 -40.39 92.12 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.58 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.4 m -98.6 22.46 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 5.4 t70 -87.78 112.12 22.09 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.895 0.379 . . . . 0.0 110.075 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.75 64.63 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -92.46 -5.71 51.34 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.653 0.263 . . . . 0.0 111.67 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.588 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 73.64 19.65 79.73 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -76.13 -21.42 56.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.997 0.427 . . . . 0.0 110.585 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 88.12 19.87 51.54 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.9 p -132.82 153.52 51.21 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.717 0.294 . . . . 0.0 110.699 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.468 HD11 HG23 ' A' ' 52' ' ' ILE . 17.6 mm -108.01 117.7 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -86.09 -177.24 6.23 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.045 0.45 . . . . 0.0 111.226 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.558 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -59.24 -43.24 96.49 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.017 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 9.0 Cg_exo -67.79 -54.82 0.31 Allowed 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 123.065 2.51 . . . . 0.0 113.073 -177.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -52.34 -45.17 65.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.889 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -63.33 -48.35 78.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.248 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 69' ' ' LEU . 1.6 tm? -54.82 -36.09 64.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.058 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m -78.75 -70.14 0.52 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 112.935 0.716 . . . . 0.0 112.935 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.7 ptp -50.66 -19.9 1.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.9 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.44 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -88.59 -27.49 21.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.071 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -37.1 76.07 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.578 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.7 mmm-85 -53.96 -62.97 1.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.294 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt 39.48 37.56 0.3 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.238 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 28.1 ttt -43.2 -93.48 0.0 OUTLIER 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.756 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.411 ' O ' ' OE1' ' B' ' 53' ' ' GLN . 78.2 tttt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.228 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 99.1 m -62.72 -44.7 95.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.314 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.46 -23.15 6.44 Favored Glycine 0 N--CA 1.469 0.845 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.71 -54.61 45.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.51 94.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.841 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.574 ' O ' HD13 ' B' ' 50' ' ' LEU . 0.2 OUTLIER -63.79 -41.08 98.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.672 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 38.8 t -58.68 -46.65 86.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.243 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -67.59 -46.11 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.754 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.411 ' OE1' ' O ' ' A' ' 77' ' ' LYS . 57.4 tt0 -64.12 -46.57 83.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.56 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.0 93.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.688 0.28 . . . . 0.0 111.096 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.45 92.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.03 -44.57 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.671 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.39 -50.22 72.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.79 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.481 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -68.01 -37.51 81.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.17 81.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.189 0.519 . . . . 0.0 110.055 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -65.03 -40.15 94.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.544 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -53.66 -43.98 69.28 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.32 86.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.062 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -62.17 -47.31 85.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.5 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.12 -46.95 84.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 3.2 mmt -68.24 -36.99 80.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.27 6.57 55.38 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.791 -0.524 . . . . 0.0 111.791 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m 60.83 89.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.008 0.432 . . . . 0.0 110.723 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.83 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 3' ' ' GLN . 64.9 t0 -68.07 133.18 48.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.164 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.44 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 18.4 pt20 -69.94 160.89 31.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.568 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.43 ' HG ' ' H ' ' A' ' 5' ' ' THR . 1.8 tp -63.56 175.9 0.97 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.777 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.43 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 4.0 t -179.2 179.55 0.64 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.399 0.437 . . . . 0.0 110.551 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -57.39 -48.89 77.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.276 0.56 . . . . 0.0 110.045 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -46.06 -61.02 1.93 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.938 0.399 . . . . 0.0 110.481 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -44.25 -58.15 3.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.417 -177.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 pt -58.45 -50.06 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.777 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.62 -33.25 69.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.263 0.554 . . . . 0.0 109.76 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.532 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 17.2 tp10 -65.16 -41.91 94.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.131 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.578 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.79 -40.56 88.18 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.877 0.37 . . . . 0.0 110.494 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -62.9 -44.64 95.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.473 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.02 -56.32 23.79 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.316 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.32 -45.61 69.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.056 0.455 . . . . 0.0 110.076 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -56.01 -51.84 66.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.831 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -53.77 -35.17 61.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.197 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.49 -42.9 86.72 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.313 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 21' ' ' LYS . 68.7 m-85 -73.7 -46.06 48.49 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.688 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 41.8 t0 -65.32 71.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.62 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -58.99 -50.31 74.55 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.389 -179.208 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 18.7 p-10 -62.51 -18.51 62.1 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.46 41.18 95.19 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.087 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -93.01 -4.7 52.13 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 117.063 0.432 . . . . 0.0 111.128 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.72 3.22 40.11 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -143.19 165.87 26.24 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.3 mt -110.34 130.24 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.55 HG22 ' N ' ' A' ' 29' ' ' THR . 57.2 m -108.79 162.55 14.08 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.199 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.55 ' N ' HG22 ' A' ' 28' ' ' THR . 8.2 p -59.4 -43.01 93.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.363 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.48 -41.14 89.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 66.5 mt-10 -58.17 -55.16 38.6 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.78 -47.28 86.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.597 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.84 -43.26 38.87 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.5 m -60.1 -48.07 83.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.75 -41.39 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-O 120.869 0.366 . . . . 0.0 110.68 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.3 mmm -65.95 -41.66 90.97 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.546 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' GLY . 4.7 tmt_? -74.39 -50.73 17.39 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.053 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.3 m -51.57 -22.11 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.449 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.6 mt -90.67 -16.89 27.75 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.901 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 99.34 19.48 20.77 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.511 -0.376 . . . . 0.0 112.188 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -75.65 150.42 37.96 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.509 -0.407 . . . . 0.0 110.697 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -38.02 146.04 0.3 Allowed Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.591 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.617 ' C ' HG23 ' A' ' 44' ' ' THR . 53.9 Cg_endo -71.13 -161.66 0.09 OUTLIER 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.491 2.127 . . . . 0.0 111.226 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.617 HG23 ' C ' ' A' ' 43' ' ' PRO . 3.0 p 79.88 105.12 0.07 Allowed 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.859 0.725 . . . . 0.0 111.192 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 48' ' ' LEU . 77.6 tt0 -84.42 -51.62 6.8 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.219 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -37.51 -31.31 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.506 0.669 . . . . 0.0 109.336 -178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' GLU . 68.6 mt-10 -60.02 -55.22 36.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.792 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 45' ' ' GLU . 8.1 mp -59.8 -51.16 70.92 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -51.82 -25.67 8.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.536 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -80.43 -43.51 20.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.176 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.473 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 37.9 mmt -61.96 -45.84 91.88 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.838 0.351 . . . . 0.0 110.728 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.446 HG12 HD11 ' A' ' 63' ' ' ILE . 81.4 mt -65.86 -42.67 92.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.356 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 29.7 t30 -47.53 -35.94 9.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.037 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -73.33 -42.64 62.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.438 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.2 m -96.7 19.2 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 46.1 p-10 -79.81 112.99 17.62 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.092 0.472 . . . . 0.0 110.495 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.79 -65.02 0.74 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.83 -0.97 57.84 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.76 23.62 77.7 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -82.17 -11.75 58.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.432 -0.384 . . . . 0.0 110.54 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.92 9.65 58.24 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.3 p -130.25 162.2 29.5 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.045 0.45 . . . . 0.0 110.603 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.446 HD11 HG12 ' A' ' 52' ' ' ILE . 87.9 mt -107.96 132.79 54.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.164 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -82.0 167.57 18.73 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.584 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' A' ' 16' ' ' PHE . 9.0 m-85 -50.1 -65.3 0.9 Allowed Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.979 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.7 Cg_endo -58.11 -43.98 43.19 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.481 2.121 . . . . 0.0 113.16 -177.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -47.81 -52.59 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -60.75 -46.58 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.3 0.571 . . . . 0.0 110.169 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.578 HD12 ' CD2' ' A' ' 12' ' ' PHE . 2.3 tt -55.74 -26.89 47.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.811 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.9 m -88.19 -69.89 0.67 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.9 ptp -47.98 -17.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.652 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.8 ptm -84.54 -27.2 27.5 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.018 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.78 -66.99 0.72 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -57.28 -16.87 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.159 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.1 tttp 54.64 -90.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.125 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.0 tpp -79.54 -148.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.597 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.146 179.808 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.588 HG22 ' H ' ' B' ' 48' ' ' ALA . 25.6 m -62.85 131.47 48.91 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.826 0.346 . . . . 0.0 110.264 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.03 -14.95 63.63 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.588 ' H ' HG22 ' B' ' 46' ' ' THR . . . -59.4 -48.42 81.7 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.21 -46.86 85.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.927 0.394 . . . . 0.0 111.063 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.616 ' O ' HD23 ' B' ' 50' ' ' LEU . 1.5 tt -62.52 -41.52 98.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.479 0.657 . . . . 0.0 109.852 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 51.1 m -57.45 -44.18 84.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.233 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -64.88 -38.94 92.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.584 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -62.1 -46.15 90.34 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.379 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.99 87.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.674 0.273 . . . . 0.0 111.174 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.29 95.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 110.746 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.34 -44.35 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.574 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.62 -49.86 71.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.73 88.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.57 96.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.929 0.395 . . . . 0.0 110.097 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.532 ' NH2' ' OE2' ' A' ' 11' ' ' GLU . 19.5 mmt85 -64.82 -41.11 96.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.808 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.73 -41.69 91.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.756 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.86 -46.24 79.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.437 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.1 -46.88 82.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.92 -47.53 82.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 76.5 mtp -67.52 -37.85 83.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.222 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.61 -8.76 76.67 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.0 p -78.83 163.38 25.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.875 0.369 . . . . 0.0 110.813 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.712 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 29.3 p-10 -81.11 -1.97 46.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.389 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -135.47 175.92 9.15 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.402 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 4' ' ' LEU . 4.2 mm? -59.59 -161.58 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.714 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 6' ' ' GLU . 25.4 m -163.67 159.65 21.83 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 5' ' ' THR . 80.8 tt0 -49.77 -58.81 4.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.316 0.579 . . . . 0.0 110.811 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -44.65 -58.48 3.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.395 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -46.8 -62.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.5 pt -55.0 -50.17 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.646 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.49 85.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.078 0.466 . . . . 0.0 110.226 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.34 -49.17 78.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.19 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.49 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.38 -42.89 99.77 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.518 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -45.99 91.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.752 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' B' ' 63' ' ' LYS . 72.5 mm-40 -63.63 -56.73 13.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.593 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -55.93 -36.28 67.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.097 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.419 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -58.3 -53.15 61.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.581 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -67.78 -20.57 65.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.551 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 mt -74.79 -45.59 42.6 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.929 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.593 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 m-85 -74.45 -54.32 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.724 -178.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -52.35 86.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.481 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' PHE . 19.8 mmtp -61.07 -54.28 46.65 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.29 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.71 -17.7 61.21 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.42 44.45 93.61 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.66 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' OD1' ' OG1' ' A' ' 26' ' ' THR . 47.1 p-10 -96.91 -5.25 38.5 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.961 0.381 . . . . 0.0 111.301 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.96 15.1 24.95 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.411 ' OG1' ' OD1' ' A' ' 24' ' ' ASP . 2.9 p -142.82 149.42 38.57 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.0 mt -107.94 146.8 13.49 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.043 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 29' ' ' THR . 62.0 m -136.13 167.45 21.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 111.306 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.627 HG22 HD12 ' A' ' 52' ' ' ILE . 52.4 p -60.3 -36.99 79.16 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.179 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.32 -42.1 65.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.709 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HB2' ' H ' ' A' ' 28' ' ' THR . 56.4 mt-10 -60.77 -61.54 2.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 109.766 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.86 -46.29 85.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.28 -39.86 44.07 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.6 m -60.73 -49.18 78.54 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.66 -42.35 91.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.075 0.464 . . . . 0.0 110.626 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.0 mtp -66.27 -43.33 86.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.421 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 40' ' ' GLY . 14.2 tpt180 -65.11 -51.32 62.01 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.202 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.1 t -49.43 -30.88 8.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.186 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 mt -80.1 -19.6 47.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 64.35 27.18 71.29 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -102.44 -40.07 6.86 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.78 0.324 . . . . 0.0 110.692 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -136.01 81.25 39.7 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' A' ' 45' ' ' GLU . 42.5 Cg_endo -72.25 -21.39 23.41 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 122.625 2.216 . . . . 0.0 111.93 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 44' ' ' THR . 0.5 OUTLIER -61.57 71.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.351 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 43' ' ' PRO . 62.6 tt0 -56.95 -10.36 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.277 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.56 -41.34 60.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.775 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -55.1 -46.49 75.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.46 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -63.27 -52.2 63.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.938 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.468 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 77.6 mt-30 -43.87 -42.62 5.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.411 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -70.62 -39.7 73.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.037 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.1 mmt -65.29 -46.11 81.7 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.754 0.312 . . . . 0.0 111.138 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.627 HD12 HG22 ' A' ' 29' ' ' THR . 29.5 mt -64.74 -43.19 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 49' ' ' GLN . 74.9 m-20 -62.0 -40.0 94.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.739 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.27 -45.08 85.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.409 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.5 m -90.08 19.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.37 108.2 17.07 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.199 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.43 -40.49 21.12 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.896 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -86.63 -21.21 26.89 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.664 0.269 . . . . 0.0 111.401 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.04 23.36 59.44 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -83.65 -17.83 40.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.881 0.372 . . . . 0.0 110.565 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.22 10.18 75.03 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -133.72 162.32 32.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.717 0.294 . . . . 0.0 110.993 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 mm -105.12 111.06 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.815 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.91 -168.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.159 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -65.15 -63.92 3.1 Favored Pre-proline 0 C--O 1.247 0.936 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.508 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.619 ' O ' ' N ' ' A' ' 70' ' ' THR . 19.2 Cg_endo -57.47 -50.03 11.98 Favored 'Trans proline' 0 C--O 1.195 -1.661 0 C-N-CA 122.154 1.902 . . . . 0.0 112.545 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' PRO . 80.8 mm-40 -39.11 -54.13 1.76 Allowed 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.152 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -63.42 -64.45 0.9 Allowed 'General case' 0 C--O 1.258 1.513 0 CA-C-O 122.03 0.919 . . . . 0.0 111.013 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.642 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 2.0 tt -58.08 -37.35 74.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.454 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.619 ' N ' ' O ' ' A' ' 66' ' ' PRO . 25.8 m -47.55 -70.08 0.11 Allowed 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.316 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.665 ' HG3' ' H ' ' A' ' 72' ' ' MET . 3.4 ptp -49.41 -70.2 0.09 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 118.885 -1.126 . . . . 0.0 110.258 -178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.665 ' H ' ' HG3' ' A' ' 71' ' ' MET . 19.6 ptm -45.38 -22.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.423 0.63 . . . . 0.0 109.618 -177.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -120.87 72.68 0.98 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.044 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -106.77 6.33 29.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.811 0.339 . . . . 0.0 110.831 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -63.06 -42.76 99.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.5 mtt -67.33 -46.31 73.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.1 0.476 . . . . 0.0 110.423 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.858 -1.067 . . . . 0.0 109.92 -179.728 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 65.7 p -83.95 165.65 18.47 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.737 0.303 . . . . 0.0 110.364 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.03 -1.01 0.43 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.59 -48.23 82.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.87 88.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 0.0 111.167 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.629 ' O ' HD23 ' B' ' 50' ' ' LEU . 2.5 tt -62.56 -44.33 96.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.261 0.553 . . . . 0.0 109.785 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.2 t -60.43 -46.0 91.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.578 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -63.75 -45.75 88.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.69 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.15 -43.63 92.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.419 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.59 95.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 111.357 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.17 -41.47 90.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.8 -43.68 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.658 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.63 -44.9 96.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.776 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.34 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.597 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.48 -39.51 93.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.094 0.473 . . . . 0.0 110.055 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 tpp85 -61.29 -44.7 96.79 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.615 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.81 -41.01 99.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.249 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.423 ' NZ ' ' OE1' ' A' ' 14' ' ' GLU . 88.5 tttt -64.01 -45.17 90.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.495 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 66.4 mt -63.23 -40.66 98.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.887 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.02 -37.27 85.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.838 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.79 13.18 63.06 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 47.8 t -67.41 143.55 56.23 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.581 -0.364 . . . . 0.0 110.654 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.318 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' O ' ' NE2' ' A' ' 3' ' ' GLN . . . . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -86.82 99.98 12.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.358 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 24.2 mp0 -66.09 173.32 3.14 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp 69.5 -177.59 0.21 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 8' ' ' GLN . 6.0 t -173.55 171.85 3.79 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.537 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 39.8 tp10 -55.89 -51.57 67.14 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.154 0.502 . . . . 0.0 110.022 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -45.12 -58.89 2.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.608 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' H ' HG23 ' A' ' 5' ' ' THR . 26.5 tp60 -42.65 -59.1 2.04 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.7 pt -57.09 -49.24 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 119.93 -0.708 . . . . 0.0 111.101 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.96 87.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -57.5 -47.12 82.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.039 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.32 -43.23 99.31 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.785 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -56.43 -44.5 80.49 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.519 ' OE1' ' NH1' ' B' ' 60' ' ' ARG . 96.6 mt-10 -59.57 -55.11 38.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.071 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.521 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -59.26 -40.85 87.31 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.236 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -50.89 72.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.473 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 t -57.51 -34.94 69.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.306 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.65 -43.06 85.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 21' ' ' LYS . 53.8 m-85 -71.23 -51.74 22.92 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.551 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 27.7 t0 -55.15 82.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.649 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.0 mmmt -65.05 -55.35 19.39 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.534 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 22.3 p-10 -61.67 -18.54 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.318 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 63.09 41.02 99.89 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.067 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 26' ' ' THR . 29.6 p-10 -92.83 -6.45 48.81 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.011 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.46 6.88 43.76 Favored Glycine 0 N--CA 1.468 0.773 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.424 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 2.1 p -142.48 167.72 21.42 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.8 mt -118.16 137.6 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.653 HG22 ' N ' ' A' ' 29' ' ' THR . 80.2 m -116.72 168.58 10.08 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.015 0.436 . . . . 0.0 111.026 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.653 ' N ' HG22 ' A' ' 28' ' ' THR . 81.6 p -61.49 -41.01 96.63 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.594 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -71.58 -38.88 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.703 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 86.5 mt-10 -60.15 -58.24 9.4 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.266 0.555 . . . . 0.0 109.872 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -60.54 -46.11 91.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.541 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -40.28 39.99 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 m -61.04 -50.41 73.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.45 -39.84 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.189 0.518 . . . . 0.0 110.844 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.481 ' SD ' HD21 ' A' ' 48' ' ' LEU . 54.4 mtp -69.15 -41.33 77.42 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.003 0.43 . . . . 0.0 111.445 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -70.78 -51.05 29.48 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.447 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.0 m -52.51 -22.46 4.88 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.8 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.8 mt -90.35 -15.7 30.61 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.144 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.77 12.23 57.0 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.458 -0.401 . . . . 0.0 112.139 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 42' ' ' ASN . 16.1 tt0 -90.33 168.64 11.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.933 0.366 . . . . 0.0 110.69 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.404 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 6.6 m120 -35.03 98.45 0.15 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.387 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -81.05 19.41 1.16 Allowed 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.486 2.124 . . . . 0.0 111.642 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 p -65.08 85.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -54.62 -12.96 0.84 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.333 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.21 -40.26 18.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.227 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.02 -45.26 93.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.392 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.6 mp -63.91 -54.32 36.56 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.902 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -49.6 -35.22 20.16 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.616 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -79.9 -43.83 21.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.2 mmt -62.45 -45.26 93.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.69 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 29' ' ' THR . 31.4 mt -64.18 -41.67 93.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -54.87 -39.5 68.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.687 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.72 -42.75 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.407 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.59 34.45 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.2 p30 -80.02 -151.96 0.07 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.973 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.11 -75.11 0.08 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.388 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -92.0 0.56 57.47 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.133 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.3 15.46 76.53 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -72.44 -14.91 61.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 110.586 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.28 16.14 80.01 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -129.39 159.27 36.75 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.089 0.471 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.479 HD11 HG23 ' A' ' 52' ' ' ILE . 33.9 mm -103.53 123.24 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.421 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -84.0 176.01 9.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.438 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 m-85 -51.56 -65.46 0.96 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.013 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.9 Cg_endo -59.09 -43.65 40.71 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.465 2.11 . . . . 0.0 112.692 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -50.09 -50.43 48.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -61.42 -48.61 80.39 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.509 0.671 . . . . 0.0 110.593 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.94 -24.77 40.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.427 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.9 m -90.76 -60.7 1.85 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.605 ' SD ' ' CE2' ' B' ' 52' ' ' TRP . 6.8 ptp -48.02 -18.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.191 -178.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.5 ptt? -83.91 -23.91 30.98 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.538 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.625 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -98.19 29.25 3.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.51 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.8 mmm-85 -54.64 2.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.886 0.374 . . . . 0.0 111.244 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.625 ' H ' ' C ' ' A' ' 73' ' ' ALA . 99.2 mttt -66.73 -175.8 0.43 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.613 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.8 mtm -89.22 152.49 21.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.475 -179.79 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.528 HG22 ' N ' ' B' ' 47' ' ' GLY . 58.6 m -73.65 163.29 28.2 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.966 0.412 . . . . 0.0 110.268 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.528 ' N ' HG22 ' B' ' 46' ' ' THR . . . 160.88 -15.6 0.18 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.16 81.39 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.78 88.74 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 111.144 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.618 ' O ' HD23 ' B' ' 50' ' ' LEU . 1.8 tt -61.91 -45.18 94.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.357 0.599 . . . . 0.0 109.962 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 80.3 p -62.45 -43.72 98.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' TRP . . . . . 0.605 ' CE2' ' SD ' ' A' ' 71' ' ' MET . 19.9 m95 -64.53 -45.02 88.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.272 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.25 -39.18 93.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.318 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.62 92.09 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.634 0.254 . . . . 0.0 111.202 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.61 88.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.4 -44.26 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.512 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -63.04 -48.52 78.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.786 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.94 95.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.13 -43.82 94.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.077 0.465 . . . . 0.0 110.245 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.519 ' NH1' ' OE1' ' A' ' 14' ' ' GLU . 16.8 mmm180 -63.81 -42.68 97.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.048 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -64.81 -43.69 92.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 109.884 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.87 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.285 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.0 -37.47 87.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.88 -49.07 78.95 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.071 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -35.06 60.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.457 ' C ' ' N ' ' B' ' 68' ' ' ALA . . . 85.31 11.64 74.99 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.166 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.7 t 46.79 16.4 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.017 0.437 . . . . 0.0 110.456 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.457 ' N ' ' C ' ' B' ' 66' ' ' GLY . . . . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.871 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -90.46 111.87 23.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.212 -0.903 . . . . 0.0 111.1 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -149.36 157.15 43.08 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.332 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.6 tp -68.71 158.46 34.17 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.769 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 8' ' ' GLN . 8.7 t -171.04 169.9 6.41 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.65 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.61 -55.12 24.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.087 0.47 . . . . 0.0 110.192 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -44.68 -58.66 2.91 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.498 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.445 ' H ' HG23 ' A' ' 5' ' ' THR . 6.5 tp-100 -46.01 -58.86 3.22 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -177.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.5 pt -57.26 -49.55 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.863 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.72 82.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.061 0.458 . . . . 0.0 109.885 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -57.8 -45.49 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.671 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.46 -44.15 95.3 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.209 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -56.58 -45.17 81.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.324 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.55 -55.16 38.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.125 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.514 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.68 -40.97 85.1 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.179 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CZ ' ' CE1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -58.96 -51.64 69.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.152 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.5 t -56.4 -35.61 67.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.11 -43.73 86.35 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.691 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 21' ' ' LYS . 53.1 m-85 -70.83 -50.19 38.12 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.802 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.473 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 37.1 t0 -60.46 76.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.823 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.7 mmmt -61.26 -51.74 67.64 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.345 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 5.3 m-20 -60.5 -18.11 49.72 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.49 41.64 98.75 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.946 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -98.13 -2.08 40.82 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.904 0.352 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 97.21 10.01 54.94 Favored Glycine 0 N--CA 1.468 0.818 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 p -141.96 159.61 41.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -113.67 139.88 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 29' ' ' THR . 90.9 m -124.54 165.37 17.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 111.216 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.601 ' N ' HG22 ' A' ' 28' ' ' THR . 36.7 p -56.54 -43.76 80.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.429 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -67.51 -41.77 83.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.795 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.462 ' HB2' ' H ' ' A' ' 28' ' ' THR . 54.3 mt-10 -58.32 -60.92 3.02 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.411 HD22 ' CH2' ' B' ' 52' ' ' TRP . 42.2 tp -61.91 -48.31 81.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.871 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.66 -44.32 23.0 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.4 m -60.27 -47.81 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.6 t -60.94 -40.54 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.732 0.301 . . . . 0.0 110.611 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.0 mtp -66.14 -43.17 87.81 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.29 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -68.36 -51.23 46.62 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.663 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.8 p -50.58 -28.0 7.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.457 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.0 mt -80.57 -17.98 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.16 19.19 17.39 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -74.33 129.13 37.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -51.01 152.67 3.59 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.469 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -40.35 97.86 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 122.321 2.014 . . . . 0.0 111.721 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 t -137.85 -1.67 1.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.272 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -53.35 -22.04 6.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.399 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 -43.04 57.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.255 0.55 . . . . 0.0 110.22 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -55.99 -47.01 78.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.445 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -61.3 -50.99 70.73 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.101 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -45.56 -43.55 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.035 0.445 . . . . 0.0 110.802 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -72.12 -39.41 68.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.255 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 55' ' ' VAL . 22.7 mmt -69.39 -48.26 61.71 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.625 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.9 mt -57.63 -42.1 80.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -60.27 -17.81 44.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.839 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -94.69 -55.27 3.19 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.477 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 51' ' ' MET . 15.4 m -65.41 -21.23 28.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 25.8 t0 -58.43 125.71 24.47 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.66 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.97 61.44 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.226 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -91.39 -3.73 56.41 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.554 0.216 . . . . 0.0 111.301 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.52 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 68.65 27.86 73.54 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' A' ' 60' ' ' ASN . 32.5 t-20 -79.79 -14.79 58.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 110.724 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.54 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 88.96 12.2 64.12 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.8 p -128.41 156.8 42.59 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.022 0.439 . . . . 0.0 110.737 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.0 mm -104.34 121.93 56.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.021 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 64' ' ' ASP . 7.4 p30 -81.57 175.06 10.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.421 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.46 ' CE1' ' CZ ' ' A' ' 16' ' ' PHE . 2.9 m-85 -51.59 -64.72 1.26 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.394 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.2 Cg_endo -57.31 -47.53 21.84 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.477 2.118 . . . . 0.0 113.58 -177.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -49.65 -51.92 34.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.142 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 29.5 t80 -61.8 -49.13 77.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.143 0.497 . . . . 0.0 110.5 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tt -52.07 -28.8 18.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m -84.34 -70.24 0.59 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.3 ptp -53.54 -19.4 3.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.744 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.439 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -86.13 -30.45 22.51 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.13 179.314 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.23 74.78 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.563 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -66.9 -17.93 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.009 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt 39.51 -145.66 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.517 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.438 ' SD ' ' O ' ' A' ' 76' ' ' MET . 0.5 OUTLIER -137.57 88.44 2.34 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.241 0.543 . . . . 0.0 110.196 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 118.27 -0.872 . . . . 0.0 109.584 -179.667 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 46' ' ' THR . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' THR . . . . . 0.439 ' O ' ' O ' ' B' ' 45' ' ' GLY . 8.7 p 56.67 155.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 110.547 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.96 141.53 3.15 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.22 -53.22 60.69 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.17 97.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.969 0.414 . . . . 0.0 111.126 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.02 -41.94 97.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 77.2 p -60.44 -43.81 96.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.16 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' TRP . . . . . 0.429 ' O ' HG22 ' B' ' 56' ' ' ILE . 55.1 m95 -66.45 -42.34 87.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.575 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.53 -41.29 96.47 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.438 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.21 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 111.326 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.35 -48.7 55.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.345 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.527 HG23 ' N ' ' B' ' 57' ' ' ASP . 20.2 tt -67.48 -43.02 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 110.837 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASP . . . . . 0.527 ' N ' HG23 ' B' ' 56' ' ' ILE . 63.7 t0 -63.29 -39.21 93.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.494 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.0 -49.27 18.09 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.644 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.92 94.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.07 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -64.77 -41.75 95.64 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.56 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.499 ' O ' ' SD ' ' B' ' 65' ' ' MET . 59.6 tt0 -53.85 -45.49 70.96 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.65 91.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.956 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -63.14 -44.43 95.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.471 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 38.7 tp -61.85 -43.48 98.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.947 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' MET . . . . . 0.562 ' N ' ' SD ' ' B' ' 65' ' ' MET . 0.0 OUTLIER -66.25 -37.38 85.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.41 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.54 21.08 70.21 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 121.217 -0.516 . . . . 0.0 111.94 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 5.9 m 44.11 30.3 0.42 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.996 0.427 . . . . 0.0 110.595 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.216 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 54.64 36.22 25.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.546 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -122.52 113.0 18.7 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.386 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.829 ' H ' HD23 ' A' ' 4' ' ' LEU . 1.2 pt? -91.44 -147.76 0.21 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.115 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.536 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 2.6 t -170.04 172.23 6.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.217 0.532 . . . . 0.0 110.893 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 39.2 tp10 -46.9 -57.89 4.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.775 0.798 . . . . 0.0 110.216 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.58 -56.68 4.87 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.541 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -45.58 -56.34 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 13.2 pt -57.63 -47.6 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.81 -178.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -62.89 -36.57 83.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.122 0.487 . . . . 0.0 109.815 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.12 -48.72 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.35 -38.97 93.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.895 0.379 . . . . 0.0 110.099 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -45.59 82.19 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.32 -54.75 43.17 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.757 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -56.25 -39.82 73.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.984 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -52.47 65.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -54.96 -32.58 61.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.943 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.4 -41.88 75.85 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.856 -0.337 . . . . 0.0 111.48 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 21' ' ' LYS . 60.7 m-85 -71.63 -55.41 7.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.803 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 28.0 t0 -54.33 84.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.751 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 19' ' ' PHE . 33.1 mmtt -65.96 -55.21 17.94 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.658 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 21.8 p30 -63.06 -18.54 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 64.05 41.37 98.56 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.023 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -89.66 -5.55 56.99 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.021 0.41 . . . . 0.0 111.24 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.38 0.78 50.48 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -140.07 158.6 43.8 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.2 mt -107.62 139.79 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.137 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.547 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 5.4 t -130.05 -176.94 4.1 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.991 0.424 . . . . 0.0 110.854 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.519 HG21 ' HG2' ' A' ' 49' ' ' GLN . 63.6 p -60.44 -46.51 89.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.107 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' H ' HG23 ' A' ' 28' ' ' THR . 55.1 mtpt -65.88 -46.39 78.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.304 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' A' ' 28' ' ' THR . 28.0 mt-10 -54.56 -60.38 3.43 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.259 0.552 . . . . 0.0 109.856 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.16 -45.24 94.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.752 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.17 -43.89 33.36 Favored Glycine 0 N--CA 1.454 -0.138 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.4 m -59.31 -49.61 77.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.81 -40.69 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.49 ' SD ' HD21 ' A' ' 48' ' ' LEU . 41.9 mtp -66.66 -40.75 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.693 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' GLY . 75.8 ttt180 -76.18 -50.83 13.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 m -50.32 -25.13 3.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.686 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.83 -14.31 34.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 95.56 19.13 30.63 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 112.083 -0.407 . . . . 0.0 112.083 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.552 ' HG2' ' H ' ' A' ' 42' ' ' ASN . 9.5 tt0 -96.46 177.84 5.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.015 0.436 . . . . 0.0 110.527 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.552 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 12.6 m120 -36.25 101.92 0.22 Allowed Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.273 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -74.83 -16.24 20.76 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.56 2.174 . . . . 0.0 112.031 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.33 125.38 23.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.557 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 46' ' ' ALA . 68.3 tt0 -81.76 -44.64 16.73 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.799 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -39.23 -45.67 1.4 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.427 0.632 . . . . 0.0 109.306 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -58.98 -54.6 45.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.257 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.49 HD21 ' SD ' ' A' ' 36' ' ' MET . 7.4 mp -54.04 -50.98 65.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.519 ' HG2' HG21 ' A' ' 29' ' ' THR . 75.7 mt-30 -51.72 -28.7 15.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.37 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -78.62 -46.82 18.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.964 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.0 mtt -65.24 -44.7 87.37 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.73 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 mt -64.22 -43.42 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -61.88 -39.37 91.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.059 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -66.47 -39.68 88.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.183 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.5 m -105.09 27.26 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' A' ' 57' ' ' ALA . 38.5 t0 -75.69 -140.34 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.754 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.517 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . -168.88 -73.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.253 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -85.24 -2.09 57.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.682 0.277 . . . . 0.0 111.449 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.27 12.39 82.25 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.94 -20.16 61.8 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.086 0.469 . . . . 0.0 110.387 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.63 17.04 66.88 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.1 p -130.69 156.72 44.45 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.822 0.344 . . . . 0.0 110.774 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.05 119.64 53.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.163 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -84.13 176.89 8.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.305 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.4 m-85 -50.34 -66.43 0.65 Allowed Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.151 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.2 Cg_endo -57.35 -43.3 53.33 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.429 2.086 . . . . 0.0 113.185 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -50.57 -52.97 34.15 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.667 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -61.58 -45.31 94.67 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.522 0.677 . . . . 0.0 110.024 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.694 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.4 tm? -54.91 -35.88 64.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.137 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.5 m -83.12 -65.86 0.96 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.617 -0.677 . . . . 0.0 112.606 -178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.5 ptp -46.05 -19.96 0.08 Allowed 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.783 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -85.45 -24.61 27.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.906 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.82 31.35 0.86 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.529 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -97.52 3.21 50.72 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.94 0.4 . . . . 0.0 110.588 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -43.8 -40.3 4.32 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.7 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.4 tpp 64.59 82.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.252 0.549 . . . . 0.0 110.355 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.086 179.875 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 63.0 p -70.17 -33.16 71.41 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.835 0.35 . . . . 0.0 110.269 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.85 -74.91 0.43 Allowed Glycine 0 CA--C 1.528 0.906 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.87 96.6 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.08 -39.23 93.62 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.02 0.438 . . . . 0.0 110.999 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.42 -42.72 98.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.44 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 72.0 m -60.23 -45.07 94.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.416 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -66.46 -46.91 74.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.407 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -61.85 -41.87 98.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.307 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.45 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.191 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.05 93.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.362 . . . . 0.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 94.9 mt -65.13 -43.93 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.654 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.37 -47.9 82.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.792 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.63 -38.41 77.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.77 72.72 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.35 0.595 . . . . 0.0 110.134 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -65.78 -34.03 77.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.731 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -56.44 -45.59 80.71 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.75 89.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.279 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -63.4 -44.28 95.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.708 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.54 -45.76 91.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 88.7 mmm -67.65 -37.76 82.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.126 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.03 -0.82 65.45 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.816 -0.513 . . . . 0.0 111.816 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.6 t -158.68 151.88 22.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.879 0.371 . . . . 0.0 110.806 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.654 179.87 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -81.1 -2.36 47.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.005 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -79.42 157.77 27.49 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.648 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' HG ' ' H ' ' A' ' 5' ' ' THR . 1.8 tp -71.57 179.79 2.88 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.668 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.449 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 7.7 t -175.53 177.15 1.83 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.665 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.68 -49.72 76.38 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 121.241 0.543 . . . . 0.0 109.659 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -46.07 -55.18 7.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.828 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' H ' HG23 ' A' ' 5' ' ' THR . 45.2 tp60 -45.91 -58.15 3.78 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.1 pt -56.78 -47.3 82.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.708 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.32 94.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.33 0.586 . . . . 0.0 109.921 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -52.21 -44.89 65.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.412 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.19 -43.1 96.1 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.066 179.621 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -56.97 -45.87 82.58 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.85 0.357 . . . . 0.0 110.372 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.8 -53.45 57.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.761 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.77 80.06 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.276 0.56 . . . . 0.0 109.934 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -51.28 70.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.738 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.2 t -54.17 -36.68 63.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.13 -42.57 96.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' LYS . 55.3 m-85 -71.5 -50.42 31.68 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.631 -0.428 . . . . 0.0 112.036 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 66.4 t0 -61.8 71.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.265 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.8 mmmt -56.44 -48.99 75.87 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.905 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -61.29 -16.95 50.89 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.403 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.57 41.14 72.66 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.773 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -92.76 -3.76 54.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.066 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.56 3.41 43.59 Favored Glycine 0 N--CA 1.466 0.695 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.9 p -144.11 165.57 27.44 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -110.19 132.12 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.579 HG22 ' N ' ' A' ' 29' ' ' THR . 88.4 m -112.87 164.06 13.88 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.961 0.41 . . . . 0.0 110.865 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.579 ' N ' HG22 ' A' ' 28' ' ' THR . 32.0 p -56.58 -41.74 77.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.609 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -69.0 -42.85 75.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.656 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -57.33 -62.88 1.46 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.052 0.453 . . . . 0.0 109.94 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.44 -45.19 94.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.719 178.728 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.587 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -52.39 -44.45 58.57 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -178.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.0 m -61.94 -44.28 97.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.62 -39.83 84.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 CA-C-O 120.693 0.282 . . . . 0.0 111.069 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.475 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 56.2 mmm -67.12 -47.34 71.44 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.631 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -69.38 -50.21 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.51 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.4 t -52.08 -21.33 3.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.522 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.4 mt -82.68 -12.78 57.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.351 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.79 17.91 26.76 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -82.65 123.98 29.77 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.969 0.414 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -42.1 155.21 0.25 Allowed Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.29 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -40.06 98.49 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.271 0 C-N-CA 122.191 1.927 . . . . 0.0 111.622 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -135.46 -1.15 2.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -53.97 -19.12 4.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.398 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.27 -40.37 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.153 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -58.16 -47.5 83.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.551 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.528 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.2 mm? -64.56 -51.44 62.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.227 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -46.64 -42.17 15.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.448 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -68.67 -38.88 80.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.714 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.9 mmt -63.98 -47.82 78.85 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.6 mt -62.4 -42.91 97.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -52.33 -17.65 1.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 56' ' ' ASP . 84.3 tt0 -99.62 -58.82 1.84 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.284 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.47 30.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 22.8 t0 -89.37 114.18 25.58 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.261 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.84 -67.57 0.35 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -91.93 -3.57 55.78 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.05 17.3 74.85 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -71.46 -21.08 62.0 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.016 0.436 . . . . 0.0 110.534 -179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.529 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 91.5 20.8 36.55 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 p -137.66 160.9 37.92 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.737 0.303 . . . . 0.0 110.805 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.5 mm -110.38 129.08 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.372 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.45 -179.24 5.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.392 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -49.99 -68.11 0.39 Allowed Pre-proline 0 CA--C 1.546 0.811 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.468 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 21.0 Cg_endo -58.89 -48.06 15.92 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.399 2.066 . . . . 0.0 113.365 -177.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -51.07 -48.53 61.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.939 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 25.1 t80 -59.01 -50.04 75.62 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.818 0.818 . . . . 0.0 109.802 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.698 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.2 tm? -59.01 -56.35 23.39 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.469 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.512 ' N ' HD13 ' A' ' 69' ' ' LEU . 17.3 m -55.57 -64.59 0.8 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.687 -177.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.2 ptp -42.88 -24.94 0.08 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.813 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.413 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -83.63 -28.73 28.23 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.793 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 70' ' ' THR . . . -97.24 15.36 23.0 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.647 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -102.54 -5.62 23.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.485 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 58.47 33.63 23.27 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.868 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 99.2 mmm -39.36 113.25 0.31 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.669 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.9 tttm . . . . . 0 C--O 1.218 -0.569 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.537 -179.48 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 85.4 m -126.31 133.37 51.41 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.937 0.398 . . . . 0.0 110.232 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' B' ' 50' ' ' LEU . . . 95.7 -121.45 6.9 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . 32.86 -104.39 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.59 90.15 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 111.033 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 47' ' ' GLY . 52.8 tp -63.62 -41.45 98.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.31 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 70.8 m -59.28 -43.47 92.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.207 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -66.24 -45.79 79.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.629 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.27 -39.04 89.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.047 0.451 . . . . 0.0 111.528 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.75 76.22 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.412 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.475 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -69.19 -42.81 75.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.347 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.528 HD13 ' O ' ' B' ' 56' ' ' ILE . 0.3 OUTLIER -66.46 -40.17 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.238 0.542 . . . . 0.0 110.622 -179.33 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -61.72 -43.22 99.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.222 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.41 -39.11 74.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.478 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.71 98.34 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.027 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -48.17 79.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.476 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -65.04 -40.39 94.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.101 0.477 . . . . 0.0 109.837 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.36 89.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.586 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.43 -47.48 83.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.73 -41.74 98.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.099 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 26.7 ttt -65.96 -37.71 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.98 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.73 1.94 89.9 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.1 m -134.64 153.55 51.93 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.946 0.403 . . . . 0.0 110.715 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.232 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.06 145.69 51.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.574 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -71.19 173.06 8.16 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.218 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.687 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -41.05 -90.67 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.705 -179.557 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -156.53 144.92 19.8 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-O 120.885 0.374 . . . . 0.0 110.573 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.41 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 83.7 tt0 -46.56 -58.61 3.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.395 0.617 . . . . 0.0 110.701 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.523 ' CG ' ' H ' ' A' ' 8' ' ' GLN . 5.4 pt-20 -47.33 -59.53 3.13 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.494 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.523 ' H ' ' CG ' ' A' ' 7' ' ' GLU . 67.0 mt-30 -42.55 -55.3 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 11.2 pt -61.03 -48.31 89.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.821 -0.752 . . . . 0.0 110.581 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.9 82.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -54.26 -41.72 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.944 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.441 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.28 -44.56 94.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.065 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -59.42 -44.53 92.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -57.94 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.69 -43.18 84.92 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.068 0.461 . . . . 0.0 110.094 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -50.89 71.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.691 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -57.08 -32.7 66.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 18' ' ' LEU . 82.3 mt -67.52 -41.2 84.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.736 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 21' ' ' LYS . 31.1 m-85 -80.77 -43.68 19.77 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.592 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 68.2 t0 -65.47 61.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.344 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.3 mmmt -51.93 -43.5 63.48 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.48 -19.41 62.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.52 37.21 74.04 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.968 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.3 p-10 -98.44 -17.85 18.56 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.927 0.364 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.479 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 114.7 9.72 13.83 Favored Glycine 0 N--CA 1.469 0.859 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.43 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -143.55 154.73 43.9 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.2 mt -112.95 126.3 70.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 31' ' ' GLU . 15.2 t -114.64 176.86 4.87 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.068 0.461 . . . . 0.0 111.125 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 p -61.36 -38.42 86.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.809 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -68.53 -45.1 73.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.151 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.535 ' H ' HG23 ' A' ' 28' ' ' THR . 33.1 mt-10 -58.94 -63.25 1.37 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 109.917 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.4 tp -61.65 -49.55 76.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.745 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.33 -41.08 23.6 Favored Glycine 0 CA--C 1.518 0.243 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.6 m -61.48 -51.81 67.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.83 -40.46 85.23 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-O 120.741 0.305 . . . . 0.0 111.037 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 53.6 mmm -65.67 -29.38 69.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.919 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -74.39 -50.36 18.9 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.343 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.7 t -60.24 -30.98 69.77 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.215 0.531 . . . . 0.0 110.779 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD22 ' HB1' ' B' ' 58' ' ' ALA . 66.0 mt -69.27 -30.11 68.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.467 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.35 18.59 10.16 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.3 tp-100 -78.85 155.35 29.18 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.058 0.456 . . . . 0.0 110.899 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -37.04 142.43 0.37 Allowed Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.505 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' A' ' 45' ' ' GLU . 56.3 Cg_endo -72.28 -7.7 21.42 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 122.554 2.169 . . . . 0.0 111.864 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.602 ' O ' HG23 ' A' ' 44' ' ' THR . 9.7 t -57.8 77.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.305 0.574 . . . . 0.0 111.456 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 43' ' ' PRO . 15.3 pt-20 -69.6 -7.97 43.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.547 0.689 . . . . 0.0 110.163 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.64 65.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.598 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -57.04 -47.43 80.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.704 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.526 ' N ' HD12 ' A' ' 48' ' ' LEU . 7.3 mp -61.99 -49.26 76.76 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -52.27 -45.49 65.45 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -73.56 -41.72 62.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.238 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.1 mmt -61.03 -49.9 75.53 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.635 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.4 mt -64.27 -42.19 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 35.5 t-20 -57.37 -35.78 70.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.735 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -67.44 -44.03 79.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.261 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 56' ' ' ASP . 18.8 m -95.35 16.9 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 55' ' ' VAL . 54.7 p30 -59.88 -145.36 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.977 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.38 -66.15 0.12 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.22 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -99.37 12.08 37.32 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.492 0.187 . . . . 0.0 111.441 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.67 18.1 79.85 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -108.28 -0.27 20.91 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.458 -0.371 . . . . 0.0 110.366 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.636 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 71.43 176.4 24.56 Favored Glycine 0 C--O 1.221 -0.705 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.636 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 17.5 p 92.28 138.13 0.03 OUTLIER 'General case' 0 C--N 1.347 0.496 0 O-C-N 124.271 0.63 . . . . 0.0 111.396 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.6 mm -105.86 135.41 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.161 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.44 176.28 6.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.485 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.2 m-85 -52.94 -66.1 0.89 Allowed Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.947 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 18.6 Cg_endo -58.95 -44.25 36.82 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.49 2.127 . . . . 0.0 113.065 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -48.94 -54.94 13.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.037 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -61.06 -49.08 78.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.264 0.554 . . . . 0.0 110.575 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.37 -27.29 46.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.769 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.0 m -88.64 -68.64 0.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 ptp -47.19 -17.05 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.401 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.6 -25.27 23.67 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.261 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.63 24.09 1.79 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.436 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -86.36 0.05 54.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.951 0.405 . . . . 0.0 110.607 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -93.34 29.99 1.8 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.656 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 89.7 mtp -114.53 131.02 56.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.243 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.0 tptt . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.993 179.909 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.111 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 100.0 m -121.06 126.21 49.26 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.158 0.504 . . . . 0.0 110.452 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.91 160.49 51.58 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.15 75.06 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.28 96.75 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.967 0.413 . . . . 0.0 111.047 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.9 tp -63.14 -40.25 97.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.149 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 15.8 t -61.14 -44.58 97.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.267 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -63.27 -46.64 85.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.407 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -65.35 -42.93 92.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.479 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.89 86.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.611 0.243 . . . . 0.0 111.144 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.38 91.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.728 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.79 -44.04 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.04 -47.76 84.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.793 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.53 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -69.5 -39.74 77.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.81 97.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.135 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -62.24 -46.24 89.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.849 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -64.89 -38.91 92.54 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.87 95.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.381 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.46 -42.93 98.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.51 -43.23 99.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.47 -36.81 83.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.21 9.93 60.07 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.9 t -137.51 139.02 40.27 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 117.001 0.401 . . . . 0.0 110.467 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.414 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.79 -41.4 99.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.437 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -141.83 156.57 45.54 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.834 0.35 . . . . 0.0 110.114 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 47.28 87.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.027 0.441 . . . . 0.0 112.039 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' H ' ' A' ' 7' ' ' GLU . 9.9 t -93.49 -150.8 0.29 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.648 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.482 ' N ' ' OG1' ' A' ' 5' ' ' THR . 83.3 tt0 -69.66 -40.72 76.28 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.779 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.497 ' H ' HG23 ' A' ' 5' ' ' THR . 32.0 tt0 -51.56 -62.86 1.36 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -49.02 -53.75 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -176.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 6' ' ' GLU . 12.6 pt -54.54 -43.83 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.333 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.45 84.91 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.899 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.2 -46.39 85.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.802 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -43.56 98.51 Favored 'General case' 0 CA--C 1.533 0.288 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.34 -44.14 75.64 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.298 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.23 -55.28 33.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.538 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.31 -40.99 79.02 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.839 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -49.92 75.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.7 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -57.93 -32.54 67.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.948 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.92 -45.01 68.46 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.987 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 43.4 m-85 -73.27 -44.35 59.44 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.569 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 44.5 t0 -64.01 70.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.902 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.9 mmmt -58.57 -49.17 78.41 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.038 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' OD2' ' OD2' ' A' ' 24' ' ' ASP . 41.8 t0 -60.49 -18.24 50.43 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.96 40.54 95.52 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.539 178.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.59 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -99.87 -7.89 24.75 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.213 0.507 . . . . 0.0 110.783 179.632 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.455 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 101.87 10.64 39.66 Favored Glycine 0 N--CA 1.467 0.757 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -141.33 150.99 43.2 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.8 mt -110.02 144.22 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 31' ' ' GLU . 2.9 t -138.43 164.49 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.186 0.517 . . . . 0.0 110.882 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 29' ' ' THR . 5.6 p -51.51 -42.7 61.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.887 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -64.62 -44.62 89.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.453 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.631 ' H ' HG23 ' A' ' 28' ' ' THR . 88.4 mt-10 -63.52 -62.38 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.196 0.522 . . . . 0.0 110.244 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.681 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.36 -43.6 98.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.497 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.681 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -54.51 -42.63 76.54 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -178.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.4 m -59.56 -47.87 83.86 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.17 -41.31 86.24 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-O 120.823 0.344 . . . . 0.0 110.466 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.481 ' CE ' ' OE1' ' A' ' 41' ' ' GLN . 59.0 mmm -63.78 -40.77 97.46 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.027 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -68.81 -50.58 48.9 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.116 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -52.21 -33.05 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.628 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.4 mt -69.55 -18.69 63.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.206 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.25 24.72 10.04 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.481 ' OE1' ' CE ' ' A' ' 36' ' ' MET . 88.6 mt-30 -82.22 126.77 32.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.562 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.432 ' CB ' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -50.13 179.39 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.433 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.162 -178.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 42' ' ' ASN . 26.6 Cg_exo -61.41 100.79 0.19 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.265 1.977 . . . . 0.0 111.645 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.7 t -148.1 2.42 0.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.926 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.82 -16.08 4.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.285 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.14 -42.6 62.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.392 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 15.7 mp0 -53.32 -49.33 67.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.73 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.644 ' HG ' HD21 ' A' ' 32' ' ' LEU . 4.6 mm? -63.36 -48.59 77.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.549 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -47.64 -48.53 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.756 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -70.43 -39.28 74.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.44 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.438 ' O ' HG22 ' A' ' 55' ' ' VAL . 40.9 mtt -65.34 -42.77 92.55 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.8 -44.92 98.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -62.2 -32.21 72.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.714 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -77.99 -56.44 4.48 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 51' ' ' MET . 16.1 m -64.43 -34.96 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.586 ' CG ' ' H ' ' A' ' 59' ' ' GLY . 60.9 t0 -40.62 130.03 2.46 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.451 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . -85.76 -39.91 16.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.808 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -87.3 -20.61 26.58 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 111.337 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.586 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 80.75 17.46 72.83 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.51 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 99.3 m-20 -71.57 -19.95 62.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.977 0.418 . . . . 0.0 110.316 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.58 7.02 60.6 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.1 p -129.74 161.19 31.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.657 0.265 . . . . 0.0 110.684 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.7 mm -105.33 124.66 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -91.56 -176.94 4.66 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 111.253 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -52.66 -46.05 96.18 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.372 -179.134 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 2.1 Cg_endo -75.0 -50.49 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.783 2.322 . . . . 0.0 113.085 -176.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -53.79 -41.72 67.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.464 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -71.71 -65.71 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.505 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 tt -47.87 -26.22 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.571 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.8 m -84.92 -71.3 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.465 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 13.3 ptp -47.78 -17.62 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.894 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.7 ptm -90.51 -31.32 16.8 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.786 0.326 . . . . 0.0 111.425 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.97 -2.41 15.18 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.982 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -107.56 -1.73 20.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.908 0.385 . . . . 0.0 110.594 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.465 ' NZ ' ' O ' ' A' ' 71' ' ' MET . 41.7 mmtm -73.62 -37.48 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.042 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.2 mtm -67.23 -90.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.5 pttp . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.11 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.5 p -58.6 -60.46 3.78 Favored 'General case' 0 C--N 1.334 -0.097 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.628 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 50' ' ' LEU . . . 38.16 -114.03 0.29 Allowed Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . 34.02 -105.5 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.03 95.52 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.112 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' B' ' 47' ' ' GLY . 58.0 tp -63.01 -43.94 97.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.252 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 71.9 m -64.65 -52.31 58.0 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.718 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -47.77 84.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.142 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -65.94 -37.73 86.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.245 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.74 -34.97 75.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.079 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.59 -49.79 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.665 HD12 ' N ' ' B' ' 56' ' ' ILE . 2.2 mp -65.28 -43.9 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 110.719 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.27 -45.51 94.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.692 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.51 79.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.594 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.22 92.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.136 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -62.16 -45.99 90.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.558 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -65.94 -40.55 91.48 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.41 99.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.46 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.49 -45.69 89.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 63.1 mt -63.4 -42.99 98.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.922 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 95.7 mtp -68.14 -37.63 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.088 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.65 12.5 77.66 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 34.9 p -154.15 161.84 41.59 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.705 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.952 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -78.71 148.19 33.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.431 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 4' ' ' LEU . 28.2 pt20 -48.38 171.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.477 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 3' ' ' GLN . 1.3 tp -47.92 179.89 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.018 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 7' ' ' GLU . 1.2 t -174.48 175.57 2.53 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -55.3 -53.49 55.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.105 0.479 . . . . 0.0 110.203 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.438 ' N ' HG23 ' A' ' 5' ' ' THR . 26.9 tt0 -45.71 -57.65 4.08 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.862 0.363 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -44.36 -57.68 3.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -176.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 10' ' ' ALA . 13.5 pt -56.95 -47.09 83.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.675 -178.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -61.71 -40.03 93.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 0.0 109.979 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HG2' HH22 ' B' ' 60' ' ' ARG . 83.6 tt0 -57.93 -45.25 86.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.808 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -65.64 -40.21 92.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.179 179.745 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.3 -40.69 74.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.099 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.9 -54.67 31.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.915 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.44 -39.62 76.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.046 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -50.06 75.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.678 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.6 t -57.26 -33.46 67.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.148 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.8 mt -68.51 -42.53 78.44 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.615 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.0 m-85 -71.87 -52.65 16.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.771 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.468 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.5 t0 -59.85 77.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.599 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -60.99 -52.26 65.76 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.288 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.542 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.9 p-10 -61.99 -18.72 61.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 60.41 41.66 98.63 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.113 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -89.81 -4.06 57.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.005 0.402 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.43 1.48 47.19 Favored Glycine 0 N--CA 1.467 0.722 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -140.68 170.51 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -114.77 134.67 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.559 HG22 ' N ' ' A' ' 29' ' ' THR . 51.4 m -110.05 164.35 12.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.107 0.48 . . . . 0.0 111.175 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.559 ' N ' HG22 ' A' ' 28' ' ' THR . 7.3 m -61.13 -42.16 98.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.793 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -70.39 -41.03 73.57 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.767 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -54.71 -60.04 3.9 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.8 tp -58.58 -47.56 83.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.791 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.01 -43.52 31.64 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.6 m -61.31 -47.06 87.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.18 -35.78 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.978 0.418 . . . . 0.0 110.631 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.632 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 42.6 mmm -67.98 -47.29 68.95 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.677 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -67.34 -47.47 70.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.792 0.33 . . . . 0.0 110.474 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.8 p -52.46 -25.27 9.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.713 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.0 mt -83.27 -11.72 57.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.88 19.37 22.19 Favored Glycine 0 N--CA 1.465 0.628 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -84.12 122.93 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.003 0.43 . . . . 0.0 110.756 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -42.02 148.6 0.47 Allowed Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.575 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -42.17 120.04 1.45 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.167 1.911 . . . . 0.0 111.804 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -150.7 17.28 0.79 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.423 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -53.52 -19.58 3.9 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.285 0.564 . . . . 0.0 110.401 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.61 -41.04 55.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.206 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -57.26 -43.9 83.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.595 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.7 mp -62.02 -52.3 64.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.033 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -47.62 -42.71 24.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.873 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -79.03 -41.43 28.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.661 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.635 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 14.6 mmt -62.65 -50.33 71.65 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.992 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 63' ' ' ILE . 63.2 mt -64.32 -43.92 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.947 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -46.84 -17.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.187 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 52' ' ' ILE . 79.6 mm-40 -104.59 -54.96 2.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.645 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 m -89.53 34.96 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.642 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 14.4 t70 -85.93 -24.41 26.58 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.884 0.373 . . . . 0.0 111.078 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 56' ' ' ASP . . . 82.58 -61.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -96.46 -4.57 41.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.47 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.566 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 69.28 16.78 71.56 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 98.0 m-20 -75.26 -23.51 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.407 . . . . 0.0 110.577 -179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.586 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 100.05 -0.27 56.16 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.569 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 5.6 p -121.97 155.12 36.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.975 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.45 HD11 HG23 ' A' ' 52' ' ' ILE . 18.3 mm -103.7 121.48 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.087 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -82.52 174.7 10.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.4 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -51.24 -65.98 0.8 Allowed Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.138 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 16.4 Cg_endo -56.06 -44.8 43.47 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.685 2.256 . . . . 0.0 113.203 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -49.55 -53.64 22.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -61.25 -46.84 88.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.804 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.724 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.3 tm? -51.95 -37.87 54.4 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.27 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.6 m -79.19 -70.02 0.53 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.0 ptp -49.77 -18.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.68 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -26.99 20.73 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.881 0.372 . . . . 0.0 111.364 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.97 -38.39 75.95 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.568 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -51.94 -63.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.34 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt 42.89 37.83 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.362 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.9 ttt 60.83 99.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.141 0.495 . . . . 0.0 110.424 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.228 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.432 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 72.5 p -84.28 165.11 18.58 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.568 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.5 166.5 36.29 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.635 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -62.02 -50.37 72.29 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.2 94.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.775 0.321 . . . . 0.0 111.157 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.65 -41.8 99.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.335 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -59.27 -46.7 87.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.351 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -67.44 -46.54 72.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.582 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -59.34 -44.83 92.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.454 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.88 97.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.032 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.632 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -68.31 -46.59 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.25 -44.22 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.414 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -63.99 -45.56 88.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.784 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.73 82.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.1 93.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.011 0.434 . . . . 0.0 110.026 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ARG . . . . . 0.432 HH22 ' HG2' ' A' ' 11' ' ' GLU . 19.4 mmt85 -66.07 -39.68 90.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.08 -40.69 95.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.821 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.95 -47.67 82.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.43 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.77 -41.06 96.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.568 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.6 tp -61.61 -45.91 92.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.16 -36.43 79.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.894 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.21 3.58 72.48 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 11.5 t 43.18 82.24 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.952 0.406 . . . . 0.0 110.589 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.734 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -148.77 133.53 17.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.79 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -87.07 121.36 29.41 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.311 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 5' ' ' THR . 6.4 tt -64.6 166.31 8.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.558 ' N ' HD23 ' A' ' 4' ' ' LEU . 7.5 t -169.41 167.65 9.88 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.787 0.327 . . . . 0.0 110.526 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.409 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 81.4 tt0 -46.35 -57.22 4.82 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 121.121 0.486 . . . . 0.0 110.123 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -43.59 -56.19 3.85 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.178 -0.326 . . . . 0.0 110.468 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -41.92 -58.84 1.91 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.432 HG13 ' H ' ' A' ' 10' ' ' ALA . 10.3 pt -58.6 -49.48 82.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.196 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -58.74 -37.05 75.33 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -59.47 -44.82 92.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.179 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.537 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.27 -43.93 96.54 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.011 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -60.44 -45.53 93.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.368 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -56.01 -54.31 46.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.027 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.69 -45.96 88.32 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.315 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -49.74 74.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -58.45 -37.68 75.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.455 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.94 -41.43 97.95 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.19 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 62.6 m-85 -73.11 -41.11 64.37 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.912 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.531 ' OD2' ' N ' ' A' ' 26' ' ' THR . 46.2 t0 -66.96 68.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.072 -179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.8 mmmt -57.65 -47.61 81.78 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.698 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 22' ' ' ASP . 20.1 t0 -57.42 -16.11 8.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.89 36.98 56.82 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.195 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -98.13 -2.53 39.78 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.931 0.366 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.86 4.75 51.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.531 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 4.9 p -143.69 156.68 44.61 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 122.553 -0.38 . . . . 0.0 110.095 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -105.05 127.36 59.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.607 HG22 ' N ' ' A' ' 29' ' ' THR . 61.2 m -108.38 164.82 12.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.607 ' N ' HG22 ' A' ' 28' ' ' THR . 40.0 p -54.76 -43.48 72.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.693 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.438 ' H ' HG22 ' A' ' 28' ' ' THR . 9.2 mtpm? -67.4 -40.92 85.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.713 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.09 -57.43 12.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.086 0.47 . . . . 0.0 109.877 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.15 -48.77 80.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.747 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.13 -44.11 26.0 Favored Glycine 0 CA--C 1.519 0.309 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.1 m -59.71 -49.27 78.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.98 -41.79 90.45 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 CA-C-O 120.629 0.252 . . . . 0.0 110.855 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.427 ' HA ' HD12 ' A' ' 39' ' ' LEU . 61.3 mmm -63.36 -34.25 77.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.353 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -80.6 -50.35 10.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.2 m -48.84 -18.53 0.28 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.759 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 36' ' ' MET . 39.9 mt -68.13 -14.12 62.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.369 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.14 39.07 2.53 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.68 -0.568 . . . . 0.0 111.68 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 42' ' ' ASN . 46.0 tt0 -144.6 171.84 13.81 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.579 -0.365 . . . . 0.0 110.628 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.412 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 1.9 m120 -116.44 77.72 7.94 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.232 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -79.48 177.26 8.71 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.9 2.4 . . . . 0.0 111.657 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.9 m -120.59 148.78 43.43 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 110.599 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 6.0 pt-20 -70.12 -56.09 7.77 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.18 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -39.68 -43.64 1.4 Allowed 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -57.56 -63.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.045 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 mp -57.27 -50.36 73.16 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 91.1 mt-30 -50.56 -26.84 5.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.513 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -80.52 -42.76 21.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.846 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.481 ' O ' HG22 ' A' ' 55' ' ' VAL . 26.4 mmt -62.32 -45.53 92.81 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.623 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.467 HG23 HD11 ' A' ' 63' ' ' ILE . 20.6 mt -66.54 -44.92 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 49' ' ' GLN . 7.4 m120 -60.41 -37.54 81.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.81 -40.07 95.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.145 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.894 HG23 ' H ' ' A' ' 56' ' ' ASP . 29.5 m -98.33 -67.27 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 119.483 -0.294 . . . . 0.0 111.709 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.894 ' H ' HG23 ' A' ' 55' ' ' VAL . 10.8 p-10 30.67 -138.07 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.065 0.228 . . . . 0.0 111.122 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -173.2 -71.55 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.715 0.293 . . . . 0.0 110.78 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.65 -3.47 59.04 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.071 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.47 7.98 85.61 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -71.82 -16.11 62.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.993 0.425 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.01 17.67 64.71 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -127.27 153.67 45.86 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.001 0.429 . . . . 0.0 110.812 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.467 HD11 HG23 ' A' ' 52' ' ' ILE . 20.6 mm -107.85 128.61 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.536 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -96.94 175.67 6.25 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.416 0.627 . . . . 0.0 110.895 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -47.25 -56.03 13.84 Favored Pre-proline 0 C--O 1.243 0.751 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.703 -179.564 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 41.6 Cg_endo -69.96 -41.6 3.88 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.148 1.899 . . . . 0.0 112.67 -178.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -58.48 -44.0 89.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.341 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 19.7 t80 -61.44 -50.08 74.24 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.444 0.64 . . . . 0.0 109.999 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.94 -51.42 68.17 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.289 -0.565 . . . . 0.0 110.96 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.7 m -56.63 -49.43 74.99 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.16 -0.338 . . . . 0.0 111.568 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ptp -63.39 -23.82 67.57 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.878 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.417 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -82.31 -26.41 33.07 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.77 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.71 25.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.247 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -95.37 -9.18 33.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.532 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -173.26 93.18 0.1 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.392 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.43 ' CG ' ' N ' ' A' ' 77' ' ' LYS . 13.5 ptp -101.81 -42.13 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.12 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' A' ' 76' ' ' MET . 97.6 mttt . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 117.85 -1.071 . . . . 0.0 110.223 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 70.6 p 41.1 33.99 0.27 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.843 0.354 . . . . 0.0 110.631 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -129.7 -57.31 0.1 Allowed Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.98 92.09 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.31 94.82 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.842 0.353 . . . . 0.0 111.166 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.27 -43.17 98.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.302 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -60.3 -46.43 89.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.35 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -66.89 -46.58 74.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.403 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.1 -44.89 96.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.434 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.38 93.42 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.266 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.77 90.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.94 -44.13 97.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.635 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.05 -48.42 80.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ALA . . . . . 0.403 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -64.76 -38.6 91.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.519 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.58 -39.1 92.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.025 0.441 . . . . 0.0 109.907 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -63.39 -45.38 91.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.778 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.02 -38.93 92.52 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.62 98.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.514 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.9 -44.25 96.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.652 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.97 -44.13 97.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.0 mmm -67.9 -36.47 80.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.088 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.49 12.0 82.44 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.3 m -60.57 -42.04 95.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.057 0.456 . . . . 0.0 110.174 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.89 -1.053 . . . . 0.0 110.674 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 55.09 33.55 20.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.362 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.613 ' CD ' ' H ' ' A' ' 3' ' ' GLN . 1.9 pm0 -52.91 174.77 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.648 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.41 ' O ' ' OG1' ' A' ' 5' ' ' THR . 5.8 mt -60.88 -75.11 0.07 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.571 HG22 ' N ' ' A' ' 6' ' ' GLU . 94.2 m -168.38 163.31 12.76 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.459 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.571 ' N ' HG22 ' A' ' 5' ' ' THR . 44.0 tt0 -47.57 -59.96 2.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.39 0.614 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.49 -60.97 1.88 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.556 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -44.29 -60.36 1.95 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 10' ' ' ALA . 16.0 pt -55.51 -49.8 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.784 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -58.78 -29.45 66.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -66.12 -46.85 76.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.208 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.491 ' CZ ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -63.26 -44.63 94.59 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.183 -179.362 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -57.2 -47.86 80.21 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.55 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -56.99 -56.28 23.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.995 0.426 . . . . 0.0 110.367 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.65 -42.67 88.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.252 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.89 -51.7 68.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.836 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 t -56.39 -35.71 68.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.5 -43.16 86.07 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.584 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.8 m-85 -69.68 -52.9 21.57 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.715 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 26' ' ' THR . 45.8 t0 -59.86 76.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.941 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.4 mmmt -61.6 -52.97 62.21 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.293 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 4.6 m-20 -59.02 -19.17 41.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.63 41.7 99.78 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.817 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -95.81 -2.26 47.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.813 0.306 . . . . 0.0 111.249 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.74 8.48 55.75 Favored Glycine 0 N--CA 1.468 0.772 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 12.6 p -141.48 169.78 16.96 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.9 mt -119.56 142.98 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.618 HG22 ' N ' ' A' ' 29' ' ' THR . 96.4 m -127.97 165.22 20.68 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.065 0.459 . . . . 0.0 111.226 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.618 ' N ' HG22 ' A' ' 28' ' ' THR . 40.2 p -54.5 -44.11 72.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.579 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.6 -41.81 83.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.476 ' HB2' ' H ' ' A' ' 28' ' ' THR . 55.7 mt-10 -60.2 -63.33 1.34 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.171 0.51 . . . . 0.0 109.989 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -61.85 -44.42 96.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.559 179.079 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.721 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -53.28 -43.55 64.65 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -178.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.4 m -60.85 -47.24 87.25 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.52 -40.68 79.57 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 CA-C-O 120.656 0.265 . . . . 0.0 111.012 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 40.5 mtp -65.59 -38.75 90.38 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.298 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -73.22 -50.85 20.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.776 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -51.06 -32.2 21.2 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.785 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.16 -13.17 62.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.73 24.37 38.93 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 112.147 -0.381 . . . . 0.0 112.147 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -91.58 144.35 25.63 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.999 0.4 . . . . 0.0 110.651 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -42.76 153.85 0.31 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.464 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.75 125.19 14.93 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.353 2.035 . . . . 0.0 111.633 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.428 ' OG1' ' OE1' ' A' ' 47' ' ' GLU . 10.5 t -156.98 14.48 0.27 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.442 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -55.32 -19.06 7.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.207 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.84 -44.18 50.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.153 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.428 ' OE1' ' OG1' ' A' ' 44' ' ' THR . 86.0 mt-10 -54.83 -50.53 68.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.103 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.658 ' HG ' HD21 ' A' ' 32' ' ' LEU . 4.6 mm? -61.27 -51.0 70.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.212 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -44.87 -44.25 9.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.735 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -71.37 -38.42 71.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.027 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.421 ' O ' HG22 ' A' ' 55' ' ' VAL . 23.6 mmt -70.45 -48.28 56.64 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.418 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.1 mt -61.1 -42.92 95.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -58.37 -16.31 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' C ' ' H ' ' A' ' 56' ' ' ASP . 41.1 tt0 -97.83 -59.83 1.69 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.565 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 51' ' ' MET . 24.2 m -62.46 4.72 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 10.8 t0 -79.7 121.71 25.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.679 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.39 -48.01 62.49 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.243 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -90.74 -8.2 50.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.422 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 75.27 25.41 68.53 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.064 -1.215 . . . . 0.0 110.064 -179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -79.92 -10.63 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 0.0 110.551 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.558 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 80.04 18.25 72.65 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.1 p -132.03 158.45 41.51 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.896 0.379 . . . . 0.0 111.011 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.7 mm -104.66 120.03 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.294 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -81.69 176.3 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.196 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -52.8 -61.56 4.56 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.977 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 15.5 Cg_endo -55.45 -48.16 22.0 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.529 2.153 . . . . 0.0 113.229 -176.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -54.98 -47.0 75.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.089 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.64 -64.39 0.96 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.13 0.491 . . . . 0.0 110.755 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tt -46.04 -26.8 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.575 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -85.01 -71.68 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 ptp -50.93 -17.82 0.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.618 -178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 72' ' ' MET . 2.7 ppp? -86.75 -28.59 22.94 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.72 17.28 0.72 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.527 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -84.34 8.81 14.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.957 0.408 . . . . 0.0 110.468 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -61.61 -171.03 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.029 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.6 mmm -82.24 -45.45 15.01 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.402 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.813 -1.089 . . . . 0.0 109.598 -179.702 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 71.9 p 41.4 76.04 0.08 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.923 0.392 . . . . 0.0 110.486 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.84 114.26 0.6 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.01 99.18 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.74 89.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.591 ' O ' HD13 ' B' ' 50' ' ' LEU . 0.2 OUTLIER -63.23 -42.69 99.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.53 0.681 . . . . 0.0 109.957 -179.703 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.0 m -55.13 -44.15 74.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.157 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -68.28 -46.81 69.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.52 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -61.18 -46.92 88.49 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.478 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.32 90.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.703 0.287 . . . . 0.0 111.197 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.85 96.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.901 0.381 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.42 -44.12 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.59 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -60.72 -48.96 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.78 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.6 85.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.579 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.0 98.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 110.148 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -45.17 91.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.625 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.74 -41.6 97.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.81 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.5 -46.02 91.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.436 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.05 -43.4 98.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.447 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.534 HD13 ' O ' ' B' ' 64' ' ' LEU . 0.2 OUTLIER -61.68 -52.4 64.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -178.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 80.8 mtp -67.66 -36.71 81.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.042 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.06 11.77 66.91 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 11.2 p -77.38 162.97 26.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.806 0.336 . . . . 0.0 110.678 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.796 179.885 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -68.66 137.52 54.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.25 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -96.34 145.35 25.68 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.314 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 5' ' ' THR . 1.5 tp -56.0 175.6 0.09 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.783 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.417 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 6.3 t -174.04 171.88 3.5 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.76 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -53.9 -50.12 67.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.186 0.517 . . . . 0.0 109.958 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -44.94 -58.97 2.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.261 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -44.41 -59.42 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 9' ' ' ILE . 9.7 pt -58.22 -49.99 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.728 -178.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.407 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -57.63 -33.4 68.22 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -63.93 -45.5 88.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.091 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.53 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -61.93 -42.5 99.17 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.14 -179.426 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' C ' ' CD ' ' A' ' 13' ' ' LYS . 3.0 tmtt? -60.55 -46.98 88.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.255 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -55.63 -56.62 18.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.329 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.27 -46.46 76.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.935 0.397 . . . . 0.0 110.43 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.85 -50.4 72.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.992 178.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.3 t -58.34 -36.62 73.7 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.35 -43.19 95.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.373 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.8 m-85 -69.01 -50.58 47.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.783 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 36.4 t0 -60.83 82.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.63 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.1 mmmt -66.55 -54.01 28.44 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.532 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 21.4 p-10 -60.84 -18.83 58.07 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -178.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 65.54 42.7 95.52 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.233 178.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.443 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 33.7 p-10 -99.65 2.16 44.2 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.847 0.323 . . . . 0.0 111.179 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 91.49 11.55 60.7 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.443 ' HG1' ' CG ' ' A' ' 24' ' ' ASP . 0.8 OUTLIER -144.25 158.52 43.69 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -110.42 134.58 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.595 HG22 ' N ' ' A' ' 29' ' ' THR . 95.2 m -113.35 164.71 13.23 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.189 0.518 . . . . 0.0 111.501 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.595 ' N ' HG22 ' A' ' 28' ' ' THR . 31.7 p -57.05 -45.84 82.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.43 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' H ' HG22 ' A' ' 28' ' ' THR . 51.0 mtpt -68.81 -43.64 75.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.77 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.428 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 85.1 mt-10 -53.91 -54.89 32.4 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.16 -46.58 89.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.639 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.54 -44.88 37.59 Favored Glycine 0 CA--C 1.518 0.225 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.0 m -59.51 -46.96 87.33 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.38 -41.97 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-O 120.818 0.342 . . . . 0.0 110.719 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.479 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 60.0 mmm -66.63 -39.71 88.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.508 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -74.3 -52.58 11.85 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.6 m -50.52 -25.92 4.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.774 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 mt -88.0 -18.03 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.26 14.19 31.28 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HG3' ' H ' ' A' ' 42' ' ' ASN . 21.1 tp60 -92.79 174.97 6.98 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.893 0.378 . . . . 0.0 110.794 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.451 ' H ' ' HG3' ' A' ' 41' ' ' GLN . 6.2 p30 -36.68 104.0 0.26 Allowed Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.364 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.68 -16.86 23.61 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.355 2.037 . . . . 0.0 112.09 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.424 ' OG1' ' OE1' ' A' ' 47' ' ' GLU . 63.1 p -51.8 105.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.672 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 48' ' ' LEU . 68.2 tt0 -72.58 -55.76 6.4 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.397 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -38.44 -36.98 0.27 Allowed 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.465 0.65 . . . . 0.0 109.438 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' OE1' ' OG1' ' A' ' 44' ' ' THR . 85.1 tt0 -60.25 -53.06 62.14 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.481 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' A' ' 45' ' ' GLU . 7.3 mp -59.88 -51.97 67.44 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -46.79 -26.22 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.421 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -79.4 -41.13 28.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.256 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.482 ' O ' HG22 ' A' ' 55' ' ' VAL . 64.4 mtt -61.37 -48.41 81.37 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.694 0.283 . . . . 0.0 110.836 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.411 HD12 HG22 ' A' ' 29' ' ' THR . 2.9 mt -66.13 -43.91 91.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.473 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 95.1 m-20 -65.36 -27.24 68.43 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.892 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -79.99 -48.88 12.65 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.268 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 51' ' ' MET . 30.5 m -71.11 -26.26 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.473 ' OD1' ' O ' ' A' ' 53' ' ' ASN . 51.9 p-10 -86.84 74.21 9.82 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.924 0.392 . . . . 0.0 110.927 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.79 -45.62 20.59 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.767 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.58 -4.77 28.88 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.14 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.45 78.9 1.01 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 30.3 p30 -114.61 -22.67 9.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.446 -0.377 . . . . 0.0 111.344 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.649 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 41.59 102.41 0.01 OUTLIER Glycine 0 C--N 1.344 1.014 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.649 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 23.3 p 96.91 166.06 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 124.49 0.759 . . . . 0.0 110.803 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.4 mm -109.69 119.18 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.009 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -86.38 177.21 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.181 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.552 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -54.18 -52.8 65.54 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.31 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 21.2 Cg_endo -60.34 -54.23 2.32 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.34 2.027 . . . . 0.0 113.597 -177.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -50.78 -50.09 56.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -60.49 -48.09 83.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.426 0.632 . . . . 0.0 110.627 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.53 HD12 ' CD2' ' A' ' 12' ' ' PHE . 3.1 tt -56.87 -25.57 56.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.589 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.6 m -86.91 -70.0 0.64 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.5 ptp -46.91 -18.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.591 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.424 ' SD ' ' C ' ' A' ' 72' ' ' MET . 3.8 ppp? -86.6 -27.42 23.88 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.847 0.356 . . . . 0.0 111.43 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.5 16.63 3.04 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.565 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -101.12 3.43 41.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.952 0.406 . . . . 0.0 110.432 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -126.65 129.66 48.93 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.704 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 78.2 mtm -100.35 108.94 21.09 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.557 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.25 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.25 -43.7 0.29 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 122.768 -0.254 . . . . 0.0 110.433 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.18 11.09 60.21 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.68 -45.86 92.55 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.42 96.61 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.63 -40.87 97.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.246 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.3 t -60.09 -45.13 93.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.228 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -63.79 -45.78 88.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.564 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.99 -42.78 94.23 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.41 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.64 91.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.173 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.479 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -62.94 -39.86 95.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 110.7 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -44.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.395 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.27 -49.09 77.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.79 91.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.696 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.37 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.981 0.42 . . . . 0.0 110.018 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -62.63 -44.29 96.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.728 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.2 -42.22 99.29 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.51 89.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.523 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.66 -43.08 97.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.384 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.21 -44.65 96.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 93.8 mtp -67.86 -37.56 82.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.031 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.12 8.76 86.97 Favored Glycine 0 CA--C 1.532 1.109 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t 55.28 53.47 9.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.09 0.472 . . . . 0.0 110.404 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.864 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 53.26 173.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.489 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.463 ' O ' ' O ' ' A' ' 4' ' ' LEU . 6.2 pt20 -147.69 94.23 2.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.424 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 3' ' ' GLN . 1.7 tp 42.73 -171.6 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.566 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.426 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 3.8 t 179.99 179.05 0.56 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.354 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' N ' ' OG1' ' A' ' 5' ' ' THR . 79.1 tt0 -62.51 -44.21 96.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.083 0.468 . . . . 0.0 110.311 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.25 -61.0 1.97 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.232 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -46.95 -61.4 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.8 pt -54.73 -49.28 69.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 119.596 -0.842 . . . . 0.0 110.606 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.8 84.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.051 0.453 . . . . 0.0 110.261 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -57.02 -49.54 75.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.111 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.572 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -61.63 -46.19 90.87 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.013 -179.703 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -56.72 -43.76 80.93 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 123.401 0.438 . . . . 0.0 110.696 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.28 -56.79 9.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.531 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -57.79 -39.71 78.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.914 0.387 . . . . 0.0 110.386 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.66 -53.59 55.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.8 t -67.34 -21.88 65.62 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.411 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.8 mt -74.18 -43.9 55.48 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 21' ' ' LYS . 35.7 m-85 -71.89 -58.54 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.639 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.0 t0 -52.66 84.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.439 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.9 mmtp -60.41 -53.5 56.84 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.451 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 55.3 p30 -64.96 -15.97 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.127 0.489 . . . . 0.0 109.893 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 57.35 42.49 93.68 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.438 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -82.64 -14.68 54.29 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.988 0.394 . . . . 0.0 111.111 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.23 -12.54 14.19 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 p -127.18 159.21 34.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.735 0.303 . . . . 0.0 110.209 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.08 138.55 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.671 HG22 ' N ' ' A' ' 29' ' ' THR . 46.6 m -123.33 173.57 7.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.176 0.512 . . . . 0.0 111.41 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.671 ' N ' HG22 ' A' ' 28' ' ' THR . 77.3 p -66.47 -39.02 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.446 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.19 -42.64 65.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.912 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -59.08 -58.25 9.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.056 0.455 . . . . 0.0 109.835 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.349 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.75 -38.76 54.06 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -60.88 -50.37 73.69 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.1 t -62.54 -41.37 91.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-O 121.088 0.471 . . . . 0.0 111.033 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.507 ' SD ' HD21 ' A' ' 48' ' ' LEU . 51.6 mtp -67.78 -45.45 74.78 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.613 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -66.3 -50.73 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -56.45 -22.41 31.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.7 mt -87.37 -17.82 31.46 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.09 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.91 5.31 47.56 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -75.5 157.52 33.88 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.57 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -34.48 96.51 0.1 Allowed Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.472 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.564 ' O ' ' N ' ' A' ' 45' ' ' GLU . 31.8 Cg_exo -56.0 -8.75 2.53 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.401 2.067 . . . . 0.0 111.87 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 46' ' ' ALA . 24.0 p -48.39 83.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.283 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' PRO . 17.5 pt-20 -57.22 -7.68 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.332 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 44' ' ' THR . . . -81.36 -38.99 25.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.284 178.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -58.51 -44.41 89.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.73 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.3 mp -66.08 -54.1 29.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.752 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 76.7 mt-30 -47.36 -37.72 11.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.541 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.8 -43.27 55.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.341 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.0 mmt -64.43 -45.66 86.56 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.917 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.435 HG23 HD11 ' A' ' 63' ' ' ILE . 7.9 mt -66.3 -41.97 89.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 49' ' ' GLN . 77.0 m-20 -56.27 -39.24 72.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -78.56 -44.96 22.92 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.782 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.8 -43.89 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.784 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.582 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 36.3 t0 -45.59 122.21 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.717 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.29 -33.9 20.5 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.101 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -86.87 -7.94 57.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.589 0.233 . . . . 0.0 111.39 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.72 24.81 71.46 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.582 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 45.7 p-10 -84.6 -21.36 30.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.62 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.72 -5.57 54.2 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.9 p -127.69 163.6 23.94 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.667 0.27 . . . . 0.0 110.752 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.435 HD11 HG23 ' A' ' 52' ' ' ILE . 18.2 mm -107.02 116.81 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.324 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.44 179.62 1.6 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.026 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.669 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -73.25 -52.92 5.06 Favored Pre-proline 0 C--O 1.245 0.816 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.14 -179.249 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 37.9 Cg_endo -65.53 -33.37 46.38 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.791 1.661 . . . . 0.0 112.593 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -60.74 -53.65 54.78 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.601 -0.44 . . . . 0.0 112.008 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -58.6 -53.62 56.26 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 121.629 0.728 . . . . 0.0 110.157 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 4.3 tt -63.37 -41.66 98.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.626 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 2.0 m -46.74 -62.03 1.57 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.595 ' HG3' ' H ' ' A' ' 72' ' ' MET . 4.0 ptp -58.57 -68.8 0.23 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.504 -1.278 . . . . 0.0 109.45 -177.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.595 ' H ' ' HG3' ' A' ' 71' ' ' MET . 2.8 ppp? -48.13 -23.01 0.72 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.317 0.579 . . . . 0.0 109.903 -177.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -136.49 66.22 1.49 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.762 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' THR . 1.8 mtt-85 -58.33 -63.36 1.3 Allowed 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.855 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.35 163.59 15.29 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.556 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.417 ' HG3' ' H ' ' A' ' 77' ' ' LYS . 1.1 tpt 75.4 -151.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.663 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.417 ' H ' ' HG3' ' A' ' 76' ' ' MET . 68.7 mttm . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.26 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.487 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 42.5 p -66.24 -31.66 72.61 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.65 -29.12 1.17 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.68 89.07 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.75 91.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.772 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.89 -42.71 99.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.259 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -59.56 -45.13 92.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.228 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -65.88 -44.11 86.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.637 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -64.44 -41.37 96.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.024 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.89 96.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.187 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.35 -41.88 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.48 -43.73 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -59.5 -48.77 80.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.766 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.04 87.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.677 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.11 95.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.045 0.45 . . . . 0.0 110.112 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -63.78 -44.92 91.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.37 -40.2 96.61 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.9 92.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.46 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -63.2 -47.11 83.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.84 -43.31 88.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.5 mmm -68.35 -37.25 80.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.036 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' B' ' 67' ' ' SER . . . 88.03 12.67 65.53 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 66' ' ' GLY . 27.6 t 53.21 168.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.39 . . . . 0.0 110.989 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.713 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 3' ' ' GLN . 64.5 t0 -62.7 135.57 57.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.925 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.45 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 15.0 pt20 -148.27 158.25 43.98 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.471 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 1.4 tp 78.01 179.64 0.13 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 8' ' ' GLN . 7.2 t -171.9 168.48 6.0 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.631 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 43.2 tt0 -52.61 -51.41 60.06 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 121.577 0.704 . . . . 0.0 110.131 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 7' ' ' GLU . 1.4 mm-40 -45.73 -58.14 3.71 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.412 ' H ' HG23 ' A' ' 5' ' ' THR . 1.8 tp-100 -42.65 -54.76 3.86 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -176.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.0 pt -60.76 -48.28 89.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.695 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.48 84.78 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -55.55 -42.09 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.191 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.549 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.77 -44.29 96.57 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -62.23 -45.62 92.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.32 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -54.03 -51.98 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.94 -44.16 86.78 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.154 0.502 . . . . 0.0 110.371 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -50.05 75.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.829 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.4 t -57.28 -36.01 70.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.304 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.22 -44.53 95.03 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.394 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 56.1 m-85 -73.88 -39.41 63.94 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.608 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 65.3 t0 -66.69 62.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.07 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.3 mmmt -55.92 -45.93 78.6 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.17 -16.79 35.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 55.49 35.72 62.22 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.895 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -98.5 -11.28 22.44 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.966 0.383 . . . . 0.0 111.364 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.12 7.44 30.82 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.71 151.47 40.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -107.34 128.77 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.568 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 5.3 t -115.81 173.32 6.62 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.061 0.457 . . . . 0.0 110.995 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -55.58 -41.77 73.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.805 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.449 ' H ' HG23 ' A' ' 28' ' ' THR . 59.5 mttp -67.32 -42.19 84.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.768 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' THR . 14.8 mt-10 -57.85 -64.71 0.81 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.933 0.397 . . . . 0.0 110.092 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.97 -49.0 76.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.699 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.75 -45.64 24.57 Favored Glycine 0 CA--C 1.519 0.3 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.7 m -60.22 -48.92 79.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.63 -40.25 85.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.1 mmm -65.25 -41.01 94.74 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.303 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -75.62 -49.37 18.68 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.88 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.4 m -50.48 -20.11 1.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.56 -9.98 59.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.184 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.55 30.93 23.07 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.254 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -94.49 136.69 34.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.98 0.419 . . . . 0.0 110.686 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.438 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.9 p30 -46.93 155.59 0.61 Allowed Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.283 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -46.97 123.89 8.0 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.098 1.866 . . . . 0.0 112.212 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -167.13 16.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.12 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -70.57 -14.82 62.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.346 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.2 -43.43 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.241 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -55.7 -45.99 77.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.483 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -63.6 -47.07 82.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.745 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -48.54 -47.07 39.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.747 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -70.23 -36.5 74.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.209 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.523 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 14.3 mmt -67.94 -43.3 79.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.123 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.2 mt -62.53 -43.41 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -64.3 -35.51 81.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -73.74 -55.28 6.44 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.867 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 51' ' ' MET . 14.3 m -63.88 -20.02 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.628 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 19.8 t70 -53.04 135.95 36.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 110.467 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.18 -45.1 70.82 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.431 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -101.02 9.32 42.34 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 111.552 0.205 . . . . 0.0 111.552 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 61.93 20.43 60.01 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.421 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 19.7 t-20 -91.08 -18.6 24.29 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.588 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.727 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 90.72 154.79 30.73 Favored Glycine 0 C--O 1.221 -0.697 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.727 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 38.3 p 100.38 140.85 0.01 OUTLIER 'General case' 0 C--N 1.349 0.573 0 O-C-N 124.726 0.897 . . . . 0.0 110.971 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.8 mm -111.93 134.9 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -99.55 173.83 6.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.993 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -53.63 -53.46 56.93 Favored Pre-proline 0 CA--C 1.545 0.768 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.391 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 29.1 Cg_endo -62.78 -51.13 3.29 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.205 1.936 . . . . 0.0 112.942 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -59.38 -38.89 81.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.405 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 19.6 t80 -58.62 -47.99 82.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.546 0.689 . . . . 0.0 109.958 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.29 -48.52 81.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.1 m -58.04 -49.85 75.47 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.661 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.7 ptp -64.38 -22.21 66.88 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.787 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -85.49 -28.4 25.02 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.093 0.473 . . . . 0.0 110.706 179.207 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.23 24.98 0.75 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.444 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -77.3 -1.06 27.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 77' ' ' LYS . 75.0 tttt -89.09 32.71 0.81 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.506 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 78.2 mtm 48.07 -89.09 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.555 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 75' ' ' LYS . 22.6 pttp . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.456 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 72.4 p -133.72 161.69 34.01 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.969 0.414 . . . . 0.0 110.347 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.02 -14.38 60.77 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.523 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -60.53 -45.41 93.95 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.38 99.35 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.012 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.51 -41.16 98.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.248 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 66.6 m -58.98 -45.12 91.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.426 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -64.37 -45.41 87.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.462 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.35 -40.4 95.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.365 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.29 93.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.611 0.243 . . . . 0.0 111.082 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.32 94.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.29 -43.61 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.98 -47.39 86.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.783 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.16 82.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.79 96.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 0.0 110.044 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -65.03 -41.04 95.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.892 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.01 -44.25 93.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.951 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.38 -41.21 93.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.432 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.47 -45.27 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.608 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.3 -45.35 93.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 3.5 tpt -67.77 -37.77 82.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.821 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.21 6.11 71.86 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 85.3 p -77.61 159.9 28.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.946 0.373 . . . . 0.0 110.736 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.706 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -50.76 -55.12 18.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 110.099 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' OE2' ' OE1' ' A' ' 11' ' ' GLU . 47.3 tp10 -44.5 -56.51 4.24 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -45.53 -59.61 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 pt -57.24 -49.0 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.402 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.48 73.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.06 0.457 . . . . 0.0 109.811 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' OE1' ' OE2' ' A' ' 7' ' ' GLU . 27.8 tp10 -62.35 -45.39 93.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.963 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.518 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.05 -44.24 97.11 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.418 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' C ' ' CD ' ' A' ' 13' ' ' LYS . 4.7 tmtt? -61.66 -46.9 87.75 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.171 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -56.89 -55.72 30.82 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.524 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -56.2 -44.26 79.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.998 0.428 . . . . 0.0 110.42 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -50.76 72.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.834 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -57.05 -36.0 69.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.949 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.83 -43.37 88.77 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.464 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' LYS . 60.5 m-85 -68.96 -50.36 49.83 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.719 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 39.2 t0 -60.12 78.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.69 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.4 mmmt -64.34 -53.25 51.67 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.4 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 52.0 p-10 -61.75 -17.15 54.83 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.647 -0.421 . . . . 0.0 109.954 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 62.62 41.59 99.79 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.946 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -92.7 -5.15 51.95 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 117.044 0.422 . . . . 0.0 110.946 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.47 ' O ' ' CE2' ' A' ' 65' ' ' PHE . . . 100.52 0.98 55.48 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -139.92 160.73 39.26 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.9 mt -107.66 142.01 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.599 HG22 ' N ' ' A' ' 29' ' ' THR . 97.6 m -125.29 163.95 21.42 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.148 0.499 . . . . 0.0 110.941 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.599 ' N ' HG22 ' A' ' 28' ' ' THR . 37.6 p -55.37 -45.29 76.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.554 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.27 -42.12 88.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.823 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -58.01 -58.74 7.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.0 0.429 . . . . 0.0 110.088 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.436 HD22 ' CH2' ' B' ' 52' ' ' TRP . 47.5 tp -62.32 -48.19 80.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.34 -44.75 28.14 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.9 m -60.65 -47.23 87.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.35 -41.2 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 CA-C-O 120.859 0.361 . . . . 0.0 110.705 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtp -64.95 -38.73 91.92 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.24 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -73.37 -50.66 20.76 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.045 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.3 t -53.31 -32.32 48.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.891 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.3 mt -74.34 -17.82 60.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.298 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.31 18.07 53.9 Favored Glycine 0 N--CA 1.463 0.443 0 N-CA-C 111.748 -0.541 . . . . 0.0 111.748 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -101.69 173.04 6.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.695 0.283 . . . . 0.0 111.019 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -36.22 101.1 0.21 Allowed Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.292 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' O ' ' N ' ' A' ' 45' ' ' GLU . 57.6 Cg_endo -77.63 18.02 0.88 Allowed 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.328 2.018 . . . . 0.0 112.178 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 t -60.46 71.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.366 0.603 . . . . 0.0 111.01 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 43' ' ' PRO . 67.4 tt0 -62.11 -11.72 15.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.496 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.09 -42.99 30.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.697 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -58.98 -45.2 91.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.644 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -63.84 -52.63 59.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.998 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -47.4 -38.43 13.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -75.18 -41.1 58.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.2 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.568 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 17.6 mmt -66.8 -44.32 81.58 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.14 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.465 HD12 HG22 ' A' ' 29' ' ' THR . 36.8 mt -63.42 -43.06 98.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -53.57 -19.55 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.758 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -92.84 -60.44 1.81 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.601 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.7 m -63.54 -21.69 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 40.2 p-10 -51.39 109.53 0.35 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.906 0.384 . . . . 0.0 110.665 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -50.65 64.1 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.116 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -81.7 -18.71 43.44 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.617 0.246 . . . . 0.0 111.412 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.16 19.73 68.92 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -81.1 -9.85 59.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.366 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.05 19.62 58.92 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.7 p -132.82 156.67 46.71 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 110.714 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 52' ' ' ILE . 27.2 mm -106.98 122.34 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.297 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -82.0 171.01 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.302 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -52.79 -52.74 61.77 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.31 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 20.6 Cg_endo -58.25 -48.58 15.22 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 122.111 1.874 . . . . 0.0 113.494 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -53.51 -51.87 61.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.218 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.31 -47.78 82.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.241 0.544 . . . . 0.0 110.399 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD12 ' CD2' ' A' ' 12' ' ' PHE . 3.4 tt -59.11 -27.15 65.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.668 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.328 -0.361 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -179.683 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.568 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.49 93.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 110.963 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.77 -43.32 99.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.385 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' B' ' 48' ' ' ALA . 79.3 p -61.77 -42.76 99.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.209 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . 0.436 ' CH2' HD22 ' A' ' 32' ' ' LEU . 13.0 m95 -64.26 -47.78 78.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -66.88 -40.33 87.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.475 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.39 98.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.115 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.19 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.732 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.04 -43.86 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -62.61 -45.64 91.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.461 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.65 -38.15 80.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 110.502 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.66 80.79 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.195 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -65.35 -36.55 84.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.583 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -55.9 -45.68 78.59 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.2 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.157 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -61.26 -46.88 88.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.28 -42.84 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.794 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.6 mmm -67.73 -37.33 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.877 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.858 179.549 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 6' ' ' GLU . 4.7 m . . . . . 0 CA--C 1.529 0.173 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.419 ' N ' HG22 ' A' ' 5' ' ' THR . 83.9 tt0 -54.69 -52.47 62.28 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 121.291 0.567 . . . . 0.0 110.406 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.443 ' HG3' ' H ' ' A' ' 8' ' ' GLN . 4.9 pt-20 -45.01 -55.28 5.69 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.443 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 87.9 mm-40 -45.79 -59.01 3.03 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 ' H ' ' A' ' 9' ' ' ILE . 9.6 pt -56.69 -47.71 82.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.499 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.99 89.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.958 0.409 . . . . 0.0 110.127 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -57.0 -45.15 83.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.51 -44.14 97.11 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -43.52 95.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.72 -55.09 33.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.3 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.66 -42.12 74.61 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.028 0.442 . . . . 0.0 110.377 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -50.03 74.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 t -57.29 -34.28 68.52 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.088 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.71 -42.63 81.66 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.528 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.6 m-85 -72.22 -52.98 13.94 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.892 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 39.7 t0 -56.22 85.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.672 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -65.94 -54.22 29.1 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.573 -179.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 31.3 p-10 -63.52 -17.03 62.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.57 42.22 99.72 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.009 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 24.4 p-10 -93.08 -0.76 56.99 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 117.199 0.5 . . . . 0.0 111.128 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.56 4.98 56.99 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.494 -0.643 . . . . 0.0 111.494 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 1.7 p -142.34 163.91 31.57 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -112.78 136.78 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.603 HG22 ' N ' ' A' ' 29' ' ' THR . 62.8 m -114.0 166.2 11.85 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.87 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.603 ' N ' HG22 ' A' ' 28' ' ' THR . 43.9 p -61.61 -44.3 97.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.473 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -67.37 -41.49 84.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -56.12 -57.47 12.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.832 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.75 -47.32 85.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.825 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.65 -44.12 29.61 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -61.52 -46.4 90.1 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.44 -38.38 81.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.479 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 58.6 mmm -66.71 -47.5 72.15 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.367 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -67.8 -48.57 65.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.915 0.388 . . . . 0.0 110.504 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.1 m -54.16 -22.74 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.568 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.8 mt -93.35 -16.69 24.38 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.976 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.22 5.65 57.07 Favored Glycine 0 N--CA 1.467 0.706 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -75.02 152.37 38.7 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 43' ' ' PRO . 8.2 t-20 -35.29 98.98 0.16 Allowed Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.369 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.463 ' O ' ' O ' ' A' ' 42' ' ' ASN . 36.0 Cg_exo -55.1 -143.18 0.0 OUTLIER 'Trans proline' 0 N--CA 1.501 1.935 0 C-N-CA 122.675 2.25 . . . . 0.0 112.308 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m 71.58 113.56 0.06 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.67 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' ALA . 11.0 pt-20 -82.04 -45.77 14.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.255 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -39.47 -41.85 1.03 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -58.59 -59.47 5.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.668 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.508 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.2 mm? -60.33 -51.27 70.25 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.798 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -47.39 -29.48 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.341 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -80.33 -41.6 24.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.431 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.529 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 25.0 mmt -67.63 -44.19 78.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.592 HG22 ' OD2' ' A' ' 56' ' ' ASP . 34.7 mt -64.71 -43.42 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.876 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -53.06 -30.51 36.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.761 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -73.98 -53.88 9.11 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.455 ' H ' HG22 ' A' ' 55' ' ' VAL . 5.0 m -69.92 -25.01 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.592 ' OD2' HG22 ' A' ' 52' ' ' ILE . 75.9 m-20 -50.38 116.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.03 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.56 -43.5 72.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.82 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -99.97 -0.09 40.05 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.674 0.273 . . . . 0.0 111.262 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.16 23.93 74.68 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -72.02 -22.93 61.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.227 0.536 . . . . 0.0 110.439 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.19 16.9 42.09 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.5 p -136.24 158.39 44.53 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.682 0.277 . . . . 0.0 110.889 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.519 HD11 HG23 ' A' ' 52' ' ' ILE . 24.9 mm -103.98 120.6 54.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.044 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -82.49 176.02 9.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.353 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.459 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.3 m-85 -50.88 -65.74 0.84 Allowed Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.082 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.9 Cg_endo -57.25 -45.38 35.49 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.527 2.151 . . . . 0.0 113.322 -178.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -48.37 -54.9 12.26 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.23 -47.07 87.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.09 0.471 . . . . 0.0 110.7 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 12' ' ' PHE . 3.0 tt -58.62 -27.46 64.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.742 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 C--N 1.328 -0.331 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.671 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.529 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 C--O 1.235 0.295 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.6 99.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.943 0.402 . . . . 0.0 110.909 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.563 HD13 ' O ' ' B' ' 50' ' ' LEU . 0.2 OUTLIER -63.33 -41.93 98.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.781 -179.638 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.6 t -57.32 -45.74 83.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.007 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -69.5 -45.41 68.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.954 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -61.82 -47.66 84.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.433 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.159 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.479 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -63.93 -45.79 87.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.956 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.39 -44.67 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.16 -45.62 87.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.65 78.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.693 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.63 77.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.174 0.511 . . . . 0.0 110.001 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -65.14 -40.95 95.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.663 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -52.72 -42.89 65.28 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.12 83.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.168 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -61.85 -47.42 85.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.503 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 49.5 tp -62.77 -46.38 88.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 4.1 mmt -69.1 -36.89 78.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.077 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.803 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 179.64 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 8' ' ' GLN . 5.1 t . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.629 0.252 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 77.8 tt0 -53.98 -55.2 29.36 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 121.56 0.695 . . . . 0.0 110.211 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.519 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -43.75 -57.94 2.96 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.545 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.405 ' H ' HG23 ' A' ' 5' ' ' THR . 31.8 tp60 -43.65 -61.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.43 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.6 pt -53.14 -49.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.023 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.412 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -60.37 -40.28 90.26 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.126 0.489 . . . . 0.0 109.928 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -56.87 -47.92 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.132 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.79 -39.91 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.375 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.15 -43.09 82.15 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.918 0.389 . . . . 0.0 110.189 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.41 -56.94 10.92 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.097 0.475 . . . . 0.0 109.882 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -54.62 -37.82 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.027 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -52.13 67.07 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.343 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.4 m -57.01 -30.2 63.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.629 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.6 mt -72.37 -44.64 62.26 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.807 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 52.0 m-85 -68.89 -55.1 12.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.658 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.486 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 31.8 t0 -55.66 85.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.503 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 19' ' ' PHE . 30.5 mmtt -64.11 -57.75 8.68 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.733 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 9.1 p30 -61.1 -18.02 55.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.962 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 64.29 44.58 95.28 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.822 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 24.3 p-10 -92.75 -5.05 52.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.898 0.349 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 100.03 5.65 54.64 Favored Glycine 0 N--CA 1.466 0.674 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.408 ' HG1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p -138.43 172.19 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.222 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.4 mt -127.47 150.19 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.659 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' A' ' 31' ' ' GLU . 6.1 t -143.48 178.4 7.79 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.005 0.431 . . . . 0.0 111.089 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.461 HG22 HD12 ' A' ' 52' ' ' ILE . 52.4 p -58.05 -44.1 87.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.968 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.428 ' H ' HG23 ' A' ' 28' ' ' THR . 59.7 mttp -65.15 -44.71 87.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.022 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HB2' ' H ' ' A' ' 28' ' ' THR . 26.4 mt-10 -60.52 -62.28 1.98 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.966 0.413 . . . . 0.0 110.013 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.99 -48.45 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.821 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.79 -43.93 30.43 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.3 m -59.69 -50.53 73.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.7 t -59.22 -42.75 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.587 0.232 . . . . 0.0 111.02 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 39.2 mtp -66.65 -41.1 88.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.82 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -68.77 -53.02 24.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.551 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.1 m -48.99 -31.71 7.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.745 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.0 mt -74.57 -16.8 60.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.86 21.18 10.48 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 112.146 -0.382 . . . . 0.0 112.146 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -80.15 117.74 21.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.073 0.463 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.465 ' O ' HG23 ' A' ' 44' ' ' THR . 5.8 m120 -37.91 152.8 0.14 Allowed Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.541 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -41.72 104.02 0.05 OUTLIER 'Trans proline' 0 N--CA 1.487 1.137 0 C-N-CA 122.263 1.975 . . . . 0.0 111.661 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 42' ' ' ASN . 14.2 p -131.24 5.32 4.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.712 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -46.79 -24.75 0.62 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.402 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.95 -42.66 38.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.071 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -54.77 -46.19 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.487 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 48' ' ' LEU . 7.5 mp -59.8 -55.36 35.21 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.949 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -45.68 -42.44 11.61 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -76.7 -43.03 39.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.395 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.0 mmt -63.63 -48.32 77.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.101 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.461 HD12 HG22 ' A' ' 29' ' ' THR . 28.7 mt -63.55 -43.09 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 46.3 t-20 -50.79 -39.36 52.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.916 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -73.06 -51.84 16.57 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.694 0.283 . . . . 0.0 111.401 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 m -92.65 24.36 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.501 ' OD2' ' CA ' ' A' ' 59' ' ' GLY . 13.0 t70 -65.63 -32.72 74.44 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.088 0.47 . . . . 0.0 110.901 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.79 -65.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.7 t0 -73.03 -29.26 62.86 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.605 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.501 ' CA ' ' OD2' ' A' ' 56' ' ' ASP . . . 83.26 12.88 78.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.497 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 41.3 p30 -83.38 -16.78 44.62 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.876 0.37 . . . . 0.0 110.681 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.491 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 94.49 11.14 57.41 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.411 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 59.0 p -132.0 156.6 45.94 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.155 0.502 . . . . 0.0 111.176 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.434 HD11 HG23 ' A' ' 52' ' ' ILE . 26.0 mm -101.75 116.31 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.221 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -75.52 176.0 7.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.432 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 m-85 -51.28 -65.73 0.87 Allowed Pre-proline 0 C--O 1.239 0.552 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.295 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.8 Cg_endo -57.27 -47.19 23.49 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.56 2.174 . . . . 0.0 113.038 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -46.32 -52.18 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 30.2 t80 -61.91 -48.7 79.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.228 0.537 . . . . 0.0 110.387 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.06 -27.11 30.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.476 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 m . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.964 -178.829 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.417 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.2 97.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.951 0.405 . . . . 0.0 111.184 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.9 -40.01 95.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.25 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -59.68 -48.09 83.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.481 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -72.22 -46.46 56.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.437 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -60.33 -49.22 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.417 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.53 91.48 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.763 0.316 . . . . 0.0 111.178 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.9 96.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.957 0.408 . . . . 0.0 110.793 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.89 -43.85 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -61.03 -49.2 78.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.746 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.45 86.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.91 99.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.13 0.49 . . . . 0.0 109.985 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -66.29 -39.16 89.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.101 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -62.4 -41.66 98.84 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.07 -47.76 83.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.323 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -65.67 -35.69 81.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.539 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.05 -44.93 96.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.26 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 79.0 mtm -66.8 -36.58 82.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.978 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.742 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 7' ' ' GLU . 11.5 t . . . . . 0 N--CA 1.471 0.608 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.491 ' HA ' HD11 ' A' ' 9' ' ' ILE . 80.5 tt0 -61.49 -45.31 94.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.2 0.524 . . . . 0.0 110.568 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.449 ' H ' HG23 ' A' ' 5' ' ' THR . 75.1 tt0 -45.66 -62.03 1.46 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.23 -58.66 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -177.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 6' ' ' GLU . 5.5 pt -56.92 -50.87 74.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.688 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.13 77.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.176 0.512 . . . . 0.0 109.891 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -61.89 -45.67 92.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.085 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -64.55 -44.3 91.22 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.562 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -57.2 -44.51 83.74 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.393 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.82 -56.48 17.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -54.24 -47.31 72.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.284 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -55.94 -51.83 66.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.528 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 5.9 t -57.29 -36.14 70.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.66 -42.74 95.2 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.445 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 21' ' ' LYS . 61.9 m-85 -69.76 -51.64 32.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.871 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 35.4 t0 -61.07 76.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.54 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.0 mmmt -60.36 -52.66 64.29 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.314 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 22.6 p-10 -63.42 -17.24 62.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.992 0.425 . . . . 0.0 109.895 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 61.43 43.42 99.36 Favored Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.827 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -91.64 -3.23 56.59 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 117.008 0.404 . . . . 0.0 110.971 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . . . 99.9 6.89 53.81 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -144.41 173.33 11.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -121.37 139.08 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.648 HG22 ' N ' ' A' ' 29' ' ' THR . 86.0 m -119.24 168.24 11.08 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.016 0.436 . . . . 0.0 111.075 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.648 ' N ' HG22 ' A' ' 28' ' ' THR . 69.1 p -60.36 -43.11 96.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.556 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.62 -41.87 78.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.762 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -57.85 -59.09 5.77 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 tp -62.63 -48.4 79.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.797 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.55 -43.74 36.7 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -61.37 -46.5 89.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.8 t -61.81 -37.77 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.013 0.435 . . . . 0.0 110.759 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.3 mtp -65.92 -50.57 63.97 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.434 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -66.2 -47.82 72.64 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.182 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.2 p -51.12 -27.38 8.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.2 mt -82.01 -12.32 58.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.233 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 16.41 42.73 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.411 HE22 ' HA ' ' B' ' 55' ' ' ALA . 86.9 mt-30 -80.73 132.43 35.55 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.97 0.414 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -38.62 155.77 0.12 Allowed Pre-proline 0 N--CA 1.467 0.411 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.234 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.56 117.26 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.506 2.138 . . . . 0.0 111.585 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 t -150.79 11.67 0.67 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.356 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -55.46 -20.21 11.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.217 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.23 -42.31 55.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.224 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -57.33 -48.85 77.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.012 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.3 mm? -60.29 -51.02 71.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.682 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -45.84 -40.93 10.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.418 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -71.6 -39.84 70.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.992 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.454 ' O ' HG23 ' A' ' 55' ' ' VAL . 22.4 mtm -68.66 -45.29 72.13 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.77 0.319 . . . . 0.0 111.225 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.529 HD12 HG22 ' A' ' 29' ' ' THR . 75.3 mt -62.27 -42.66 96.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.437 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 33.4 t-20 -50.41 -26.38 4.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.683 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -98.15 -38.94 9.12 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.53 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 51' ' ' MET . 90.9 t -62.45 -44.58 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.629 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 10.2 t70 -47.91 129.18 14.32 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.856 0.36 . . . . 0.0 110.664 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.33 -42.06 60.06 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.026 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -95.67 1.63 53.63 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.459 0.171 . . . . 0.0 111.155 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.546 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 71.16 25.64 75.23 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -74.63 -22.18 59.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.966 0.412 . . . . 0.0 110.554 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.9 20.62 49.61 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.6 p -131.74 153.11 50.4 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.811 0.339 . . . . 0.0 110.792 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.403 HD11 HG23 ' A' ' 52' ' ' ILE . 26.4 mm -105.94 120.36 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.363 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -78.5 172.2 14.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.203 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.542 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -54.43 -52.33 70.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.352 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 21.3 Cg_endo -59.37 -51.71 5.96 Favored 'Trans proline' 0 N--CA 1.503 2.03 0 C-N-CA 122.359 2.04 . . . . 0.0 113.352 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -48.79 -50.35 34.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 31.6 t80 -61.3 -49.33 77.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.185 0.516 . . . . 0.0 110.71 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.414 HD12 ' CD2' ' A' ' 12' ' ' PHE . 2.8 tt -53.6 -27.48 26.95 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.34 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.7 m . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.711 -179.094 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.56 97.9 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 111.041 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.11 -40.78 98.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.145 0.497 . . . . 0.0 110.124 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 66.2 m -60.71 -45.37 94.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.244 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -70.26 -51.01 33.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.566 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.85 -45.63 88.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.444 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.07 92.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.026 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.411 ' HA ' HE22 ' A' ' 41' ' ' GLN . . . -64.98 -42.01 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.53 -43.58 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.67 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.74 -45.64 93.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.795 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.79 88.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.483 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.83 94.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.122 0.487 . . . . 0.0 109.989 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -63.25 -44.3 95.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.598 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -61.27 -39.95 92.28 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.94 -47.22 87.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.368 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -64.6 -40.78 96.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.309 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.634 HD23 ' O ' ' B' ' 64' ' ' LEU . 1.5 tt -62.32 -40.68 97.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.413 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 38.6 tpp -64.81 -24.18 67.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.876 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.801 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 179.312 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.562 HG22 ' N ' ' A' ' 6' ' ' GLU . 90.7 m . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 120.879 0.371 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.562 ' N ' HG22 ' A' ' 5' ' ' THR . 42.9 tp10 -50.81 -55.52 16.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.261 0.553 . . . . 0.0 110.484 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 8' ' ' GLN . 13.9 pt-20 -44.41 -55.93 4.63 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.996 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.508 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 96.0 mm-40 -43.07 -58.18 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.6 pt -57.87 -47.96 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.476 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.41 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -55.88 -48.3 75.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.989 -0.444 . . . . 0.0 110.014 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -53.4 -43.36 67.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.32 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.58 -44.24 96.8 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 110.294 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -65.63 -37.88 87.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.449 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.11 -56.33 13.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.422 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.55 -44.29 72.76 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.088 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.626 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -57.1 -51.74 68.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.713 179.333 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.549 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 54.5 m -54.01 -34.82 60.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.393 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.507 HD13 ' HB1' ' B' ' 59' ' ' ALA . 97.0 mt -66.73 -42.89 85.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.545 ' O ' ' N ' ' A' ' 21' ' ' LYS . 47.2 m-85 -73.92 -47.45 37.68 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.964 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 61.2 t0 -61.81 69.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.094 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.8 mmmt -56.18 -47.76 77.69 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.229 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.7 -18.37 59.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.11 38.56 61.35 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.782 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -92.74 -12.38 31.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 117.02 0.41 . . . . 0.0 111.234 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.64 1.26 23.03 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.7 p -142.52 154.58 44.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.308 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.63 126.8 52.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.554 HG22 ' N ' ' A' ' 29' ' ' THR . 61.9 m -108.15 163.18 13.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.025 0.44 . . . . 0.0 111.068 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.554 ' N ' HG22 ' A' ' 28' ' ' THR . 9.9 p -58.0 -38.24 75.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.62 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -72.59 -35.58 67.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.587 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 28' ' ' THR . 49.8 mt-10 -63.8 -64.41 0.9 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.194 0.521 . . . . 0.0 110.447 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.941 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.19 -38.52 89.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.79 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.941 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -58.51 -42.4 95.91 Favored Glycine 0 C--N 1.329 0.167 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.9 m -60.23 -45.58 92.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.4 t -59.11 -34.86 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 120.927 0.394 . . . . 0.0 110.719 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.619 ' HG3' HD21 ' A' ' 48' ' ' LEU . 38.5 mmt -66.77 -41.05 88.35 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.228 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -48.98 52.6 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.61 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.6 m -52.2 -25.37 9.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.589 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.1 mt -81.32 -16.95 50.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.79 27.35 9.69 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' OE1' ' SD ' ' A' ' 36' ' ' MET . 88.3 mt-30 -89.96 123.15 33.63 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.09 0.472 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.595 ' ND2' ' H ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -37.34 154.79 0.1 OUTLIER Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.507 -178.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.39 132.91 41.5 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.921 1.747 . . . . 0.0 111.965 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.0 t -169.82 25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.338 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.4 -15.76 12.01 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.503 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.34 -40.66 26.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.341 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -61.57 -42.17 98.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.626 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.619 HD21 ' HG3' ' A' ' 36' ' ' MET . 5.5 mp -64.0 -53.04 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.985 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -49.39 -36.27 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.14 -43.97 77.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.21 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 55' ' ' VAL . 56.4 mtt -62.19 -50.4 71.95 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.048 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.89 -42.86 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.382 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -50.68 -31.4 16.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.736 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -101.0 -41.31 6.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.406 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 51' ' ' MET . 73.1 t -65.56 -43.31 94.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 67.5 t0 -41.07 134.35 2.05 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.963 0.411 . . . . 0.0 110.83 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . -69.82 -44.95 68.94 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.299 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -97.31 3.97 51.01 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.534 0.207 . . . . 0.0 111.365 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.84 24.55 62.66 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.529 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 8.3 m120 -73.3 -22.02 60.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 0.0 110.452 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.71 -0.19 30.55 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 p -132.96 167.76 19.68 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.049 0.452 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.8 mt -111.7 134.92 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.221 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -87.38 174.5 8.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.734 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.626 ' CZ ' ' CZ ' ' A' ' 16' ' ' PHE . 4.4 m-85 -54.68 -66.19 1.04 Allowed Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.039 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 18.9 Cg_endo -56.23 -46.23 32.17 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.555 2.17 . . . . 0.0 113.017 -177.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -48.09 -50.33 28.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.14 -47.48 86.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.177 0.513 . . . . 0.0 110.282 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.557 HD12 ' CD2' ' A' ' 12' ' ' PHE . 1.2 tt -54.0 -27.63 32.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.658 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.3 m . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.06 0.457 . . . . 0.0 111.975 -179.101 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.96 90.15 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 111.26 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.91 -41.93 99.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.229 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.6 t -60.58 -45.71 92.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.339 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -68.48 -43.04 77.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.616 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.92 -50.12 74.7 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.35 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.77 85.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.694 0.283 . . . . 0.0 110.976 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.17 -45.84 91.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.983 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.28 -43.71 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.392 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.46 -45.71 93.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.75 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.79 -40.39 79.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . 0.507 ' HB1' HD13 ' A' ' 18' ' ' LEU . . . -63.77 -40.37 96.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.64 -42.25 98.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.861 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -64.87 -40.44 95.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.42 85.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.583 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.69 -46.93 85.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.424 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 53.0 tp -63.06 -43.54 98.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.033 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 58.8 mmm -66.12 -38.2 87.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.899 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.892 0 N-CA-C 111.801 -0.52 . . . . 0.0 111.801 179.546 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 120.593 0.235 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -51.02 -55.15 18.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.159 0.504 . . . . 0.0 109.783 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.424 ' OE2' ' OE1' ' A' ' 11' ' ' GLU . 45.4 tp10 -44.43 -53.45 6.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.637 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -45.0 -59.75 2.42 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.408 HG13 ' H ' ' A' ' 10' ' ' ALA . 10.2 pt -55.75 -47.77 78.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.509 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.23 -35.16 78.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.114 0.483 . . . . 0.0 109.995 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' OE1' ' OE2' ' A' ' 7' ' ' GLU . 32.7 tp10 -58.81 -47.76 83.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.137 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.44 -41.57 96.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.303 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -57.94 -47.23 83.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.33 -55.21 37.9 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.488 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.89 -42.48 76.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.93 0.395 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.03 -51.03 71.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.6 m -56.92 -34.77 68.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.172 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.31 -43.48 86.14 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.194 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' LYS . 63.8 m-85 -68.35 -49.16 62.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.853 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 40.5 t0 -63.28 79.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.405 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PHE . 23.1 mmmt -62.17 -52.95 61.74 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.535 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 23.9 p-10 -63.62 -17.03 62.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.048 0.451 . . . . 0.0 109.821 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.92 42.65 99.75 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.991 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.405 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 34.6 p-10 -93.42 -2.35 54.72 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.216 0.508 . . . . 0.0 111.149 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.99 8.81 53.55 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 2.0 p -143.54 164.82 29.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.131 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.8 mt -115.51 137.22 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 29' ' ' THR . 80.0 m -118.95 168.84 10.41 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.029 0.443 . . . . 0.0 111.14 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.645 ' N ' HG22 ' A' ' 28' ' ' THR . 62.2 p -61.67 -44.59 96.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -66.73 -42.3 86.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.772 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 90.9 mt-10 -57.52 -57.07 14.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.025 0.44 . . . . 0.0 109.86 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.57 -45.82 92.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.561 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.84 -43.46 48.07 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -59.86 -47.35 86.09 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.25 -37.02 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.045 0.45 . . . . 0.0 110.523 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mtp -66.56 -40.18 88.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.209 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.61 -51.12 37.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.409 . . . . 0.0 110.736 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 t -53.11 -23.99 9.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.481 HD22 ' HB1' ' B' ' 58' ' ' ALA . 56.7 mt -83.86 -19.65 34.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.997 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.5 21.8 55.48 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.039 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -108.93 145.61 35.14 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.424 -0.456 . . . . 0.0 110.652 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.464 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.6 OUTLIER -36.02 100.45 0.2 Allowed Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.131 -179.388 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -80.6 -95.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.272 1.982 . . . . 0.0 112.149 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m 68.17 111.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.063 0.458 . . . . 0.0 110.529 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 46' ' ' ALA . 1.3 pt-20 -68.41 -53.31 24.58 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.327 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -38.88 -46.27 1.28 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.127 0.489 . . . . 0.0 109.724 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.05 -55.72 31.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.816 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.02 -52.59 64.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.647 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -46.86 -29.98 2.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.171 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -80.9 -42.81 20.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.153 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.9 mmt -66.98 -44.75 79.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.773 0.32 . . . . 0.0 111.013 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.525 HD12 HG22 ' A' ' 29' ' ' THR . 29.1 mt -65.38 -43.99 94.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.21 -39.93 88.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.73 -40.39 92.12 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.58 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.4 m -98.6 22.46 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 5.4 t70 -87.78 112.12 22.09 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.895 0.379 . . . . 0.0 110.075 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.75 64.63 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -92.46 -5.71 51.34 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.653 0.263 . . . . 0.0 111.67 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.588 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 73.64 19.65 79.73 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -76.13 -21.42 56.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.997 0.427 . . . . 0.0 110.585 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 88.12 19.87 51.54 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.9 p -132.82 153.52 51.21 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.717 0.294 . . . . 0.0 110.699 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.468 HD11 HG23 ' A' ' 52' ' ' ILE . 17.6 mm -108.01 117.7 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -86.09 -177.24 6.23 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.045 0.45 . . . . 0.0 111.226 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.558 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -59.24 -43.24 96.49 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.017 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 9.0 Cg_exo -67.79 -54.82 0.31 Allowed 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 123.065 2.51 . . . . 0.0 113.073 -177.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -52.34 -45.17 65.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.889 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -63.33 -48.35 78.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.248 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 69' ' ' LEU . 1.6 tm? -54.82 -36.09 64.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.058 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m . . . . . 0 C--N 1.321 -0.674 0 N-CA-C 112.935 0.716 . . . . 0.0 112.935 -179.409 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.279 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.51 94.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.841 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.574 HD13 ' O ' ' B' ' 50' ' ' LEU . 0.2 OUTLIER -63.79 -41.08 98.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.672 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 38.8 t -58.68 -46.65 86.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.243 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -67.59 -46.11 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.754 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -64.12 -46.57 83.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.56 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.0 93.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.688 0.28 . . . . 0.0 111.096 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.45 92.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.03 -44.57 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.671 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.39 -50.22 72.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.79 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.481 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -68.01 -37.51 81.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.17 81.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.189 0.519 . . . . 0.0 110.055 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -65.03 -40.15 94.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.544 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -53.66 -43.98 69.28 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.32 86.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.062 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -62.17 -47.31 85.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.5 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.12 -46.95 84.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 3.2 mmt -68.24 -36.99 80.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.902 0 N-CA-C 111.791 -0.524 . . . . 0.0 111.791 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 CA--C 1.532 0.261 0 CA-C-O 120.87 0.366 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -57.39 -48.89 77.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.276 0.56 . . . . 0.0 110.045 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -46.06 -61.02 1.93 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.938 0.399 . . . . 0.0 110.481 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -44.25 -58.15 3.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.417 -177.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 pt -58.45 -50.06 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.777 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.62 -33.25 69.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.263 0.554 . . . . 0.0 109.76 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.532 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 17.2 tp10 -65.16 -41.91 94.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.131 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.578 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.79 -40.56 88.18 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.877 0.37 . . . . 0.0 110.494 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -62.9 -44.64 95.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.473 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.02 -56.32 23.79 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.316 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.32 -45.61 69.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.056 0.455 . . . . 0.0 110.076 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -56.01 -51.84 66.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.831 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -53.77 -35.17 61.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.197 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.49 -42.9 86.72 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.313 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 21' ' ' LYS . 68.7 m-85 -73.7 -46.06 48.49 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.688 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 41.8 t0 -65.32 71.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.62 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -58.99 -50.31 74.55 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.389 -179.208 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 18.7 p-10 -62.51 -18.51 62.1 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.46 41.18 95.19 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.087 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -93.01 -4.7 52.13 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 117.063 0.432 . . . . 0.0 111.128 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.72 3.22 40.11 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -143.19 165.87 26.24 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.3 mt -110.34 130.24 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.55 HG22 ' N ' ' A' ' 29' ' ' THR . 57.2 m -108.79 162.55 14.08 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.199 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.55 ' N ' HG22 ' A' ' 28' ' ' THR . 8.2 p -59.4 -43.01 93.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.363 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.48 -41.14 89.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 66.5 mt-10 -58.17 -55.16 38.6 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.78 -47.28 86.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.597 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.84 -43.26 38.87 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.5 m -60.1 -48.07 83.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.75 -41.39 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-O 120.869 0.366 . . . . 0.0 110.68 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.3 mmm -65.95 -41.66 90.97 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.546 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' GLY . 4.7 tmt_? -74.39 -50.73 17.39 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.053 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.3 m -51.57 -22.11 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.449 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.6 mt -90.67 -16.89 27.75 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.901 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 99.34 19.48 20.77 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.511 -0.376 . . . . 0.0 112.188 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -75.65 150.42 37.96 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.509 -0.407 . . . . 0.0 110.697 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -38.02 146.04 0.3 Allowed Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.591 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.617 ' C ' HG23 ' A' ' 44' ' ' THR . 53.9 Cg_endo -71.13 -161.66 0.09 OUTLIER 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.491 2.127 . . . . 0.0 111.226 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.617 HG23 ' C ' ' A' ' 43' ' ' PRO . 3.0 p 79.88 105.12 0.07 Allowed 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.859 0.725 . . . . 0.0 111.192 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 48' ' ' LEU . 77.6 tt0 -84.42 -51.62 6.8 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.219 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -37.51 -31.31 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.506 0.669 . . . . 0.0 109.336 -178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' GLU . 68.6 mt-10 -60.02 -55.22 36.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.792 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 45' ' ' GLU . 8.1 mp -59.8 -51.16 70.92 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -51.82 -25.67 8.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.536 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -80.43 -43.51 20.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.176 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.473 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 37.9 mmt -61.96 -45.84 91.88 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.838 0.351 . . . . 0.0 110.728 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.446 HG12 HD11 ' A' ' 63' ' ' ILE . 81.4 mt -65.86 -42.67 92.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.356 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 29.7 t30 -47.53 -35.94 9.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.037 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -73.33 -42.64 62.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.438 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.2 m -96.7 19.2 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 46.1 p-10 -79.81 112.99 17.62 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.092 0.472 . . . . 0.0 110.495 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.79 -65.02 0.74 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.83 -0.97 57.84 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.76 23.62 77.7 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -82.17 -11.75 58.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.432 -0.384 . . . . 0.0 110.54 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.92 9.65 58.24 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.3 p -130.25 162.2 29.5 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.045 0.45 . . . . 0.0 110.603 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.446 HD11 HG12 ' A' ' 52' ' ' ILE . 87.9 mt -107.96 132.79 54.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.164 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -82.0 167.57 18.73 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.584 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' A' ' 16' ' ' PHE . 9.0 m-85 -50.1 -65.3 0.9 Allowed Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.979 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.7 Cg_endo -58.11 -43.98 43.19 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.481 2.121 . . . . 0.0 113.16 -177.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -47.81 -52.59 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -60.75 -46.58 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.3 0.571 . . . . 0.0 110.169 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.578 HD12 ' CD2' ' A' ' 12' ' ' PHE . 2.3 tt -55.74 -26.89 47.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.811 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.9 m . . . . . 0 C--N 1.328 -0.356 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.331 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.473 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.21 -46.86 85.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.927 0.394 . . . . 0.0 111.063 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.616 ' O ' HD23 ' B' ' 50' ' ' LEU . 1.5 tt -62.52 -41.52 98.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.479 0.657 . . . . 0.0 109.852 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 51.1 m -57.45 -44.18 84.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.233 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -64.88 -38.94 92.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.584 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -62.1 -46.15 90.34 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.379 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.99 87.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.674 0.273 . . . . 0.0 111.174 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.29 95.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 110.746 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.34 -44.35 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.574 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.62 -49.86 71.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.73 88.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.57 96.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.929 0.395 . . . . 0.0 110.097 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.532 ' NH2' ' OE2' ' A' ' 11' ' ' GLU . 19.5 mmt85 -64.82 -41.11 96.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.808 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -65.73 -41.69 91.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.756 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.86 -46.24 79.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.437 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.1 -46.88 82.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.92 -47.53 82.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 76.5 mtp -67.52 -37.85 83.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.222 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 179.739 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 6' ' ' GLU . 25.4 m . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 5' ' ' THR . 80.8 tt0 -49.77 -58.81 4.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.316 0.579 . . . . 0.0 110.811 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -44.65 -58.48 3.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.395 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -46.8 -62.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.5 pt -55.0 -50.17 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.646 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.49 85.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.078 0.466 . . . . 0.0 110.226 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.34 -49.17 78.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.19 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.49 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.38 -42.89 99.77 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.518 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -45.99 91.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.752 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' B' ' 63' ' ' LYS . 72.5 mm-40 -63.63 -56.73 13.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.593 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -55.93 -36.28 67.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.097 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.419 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -58.3 -53.15 61.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.581 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -67.78 -20.57 65.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.551 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 mt -74.79 -45.59 42.6 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.929 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.593 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 m-85 -74.45 -54.32 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.724 -178.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -52.35 86.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.481 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' PHE . 19.8 mmtp -61.07 -54.28 46.65 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.29 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.71 -17.7 61.21 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.42 44.45 93.61 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.66 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' OD1' ' OG1' ' A' ' 26' ' ' THR . 47.1 p-10 -96.91 -5.25 38.5 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.961 0.381 . . . . 0.0 111.301 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.96 15.1 24.95 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.411 ' OG1' ' OD1' ' A' ' 24' ' ' ASP . 2.9 p -142.82 149.42 38.57 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.0 mt -107.94 146.8 13.49 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.043 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 29' ' ' THR . 62.0 m -136.13 167.45 21.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 111.306 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.627 HG22 HD12 ' A' ' 52' ' ' ILE . 52.4 p -60.3 -36.99 79.16 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.179 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.32 -42.1 65.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.709 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HB2' ' H ' ' A' ' 28' ' ' THR . 56.4 mt-10 -60.77 -61.54 2.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 109.766 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.86 -46.29 85.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.28 -39.86 44.07 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.6 m -60.73 -49.18 78.54 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.66 -42.35 91.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.075 0.464 . . . . 0.0 110.626 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.0 mtp -66.27 -43.33 86.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.421 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 40' ' ' GLY . 14.2 tpt180 -65.11 -51.32 62.01 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.202 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.1 t -49.43 -30.88 8.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.186 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 mt -80.1 -19.6 47.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 64.35 27.18 71.29 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -102.44 -40.07 6.86 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.78 0.324 . . . . 0.0 110.692 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -136.01 81.25 39.7 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' A' ' 45' ' ' GLU . 42.5 Cg_endo -72.25 -21.39 23.41 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 122.625 2.216 . . . . 0.0 111.93 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 44' ' ' THR . 0.5 OUTLIER -61.57 71.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 43' ' ' PRO . 62.6 tt0 -56.95 -10.36 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.277 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.56 -41.34 60.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.775 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -55.1 -46.49 75.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.46 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -63.27 -52.2 63.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.938 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.468 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 77.6 mt-30 -43.87 -42.62 5.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.411 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -70.62 -39.7 73.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.037 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.1 mmt -65.29 -46.11 81.7 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.754 0.312 . . . . 0.0 111.138 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.627 HD12 HG22 ' A' ' 29' ' ' THR . 29.5 mt -64.74 -43.19 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 49' ' ' GLN . 74.9 m-20 -62.0 -40.0 94.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.739 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.27 -45.08 85.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.409 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.5 m -90.08 19.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.37 108.2 17.07 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.199 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.43 -40.49 21.12 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.896 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -86.63 -21.21 26.89 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.664 0.269 . . . . 0.0 111.401 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.04 23.36 59.44 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -83.65 -17.83 40.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.881 0.372 . . . . 0.0 110.565 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.22 10.18 75.03 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -133.72 162.32 32.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.717 0.294 . . . . 0.0 110.993 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 mm -105.12 111.06 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.815 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.91 -168.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.159 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -65.15 -63.92 3.1 Favored Pre-proline 0 C--O 1.247 0.936 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.508 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.619 ' O ' ' N ' ' A' ' 70' ' ' THR . 19.2 Cg_endo -57.47 -50.03 11.98 Favored 'Trans proline' 0 C--O 1.195 -1.661 0 C-N-CA 122.154 1.902 . . . . 0.0 112.545 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' PRO . 80.8 mm-40 -39.11 -54.13 1.76 Allowed 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.152 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -63.42 -64.45 0.9 Allowed 'General case' 0 C--O 1.258 1.513 0 CA-C-O 122.03 0.919 . . . . 0.0 111.013 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.49 HD12 ' CD2' ' A' ' 12' ' ' PHE . 2.0 tt -58.08 -37.35 74.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.454 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.619 ' N ' ' O ' ' A' ' 66' ' ' PRO . 25.8 m . . . . . 0 C--N 1.311 -1.08 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.316 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.87 88.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 0.0 111.167 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.629 ' O ' HD23 ' B' ' 50' ' ' LEU . 2.5 tt -62.56 -44.33 96.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.261 0.553 . . . . 0.0 109.785 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.2 t -60.43 -46.0 91.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.578 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -63.75 -45.75 88.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.69 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.15 -43.63 92.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.419 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.59 95.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 111.357 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.17 -41.47 90.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.8 -43.68 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.658 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.63 -44.9 96.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.776 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.34 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.597 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.48 -39.51 93.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.094 0.473 . . . . 0.0 110.055 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 tpp85 -61.29 -44.7 96.79 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.615 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.81 -41.01 99.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.249 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.423 ' NZ ' ' OE1' ' A' ' 14' ' ' GLU . 88.5 tttt -64.01 -45.17 90.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.495 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 66.4 mt -63.23 -40.66 98.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.887 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.02 -37.27 85.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.838 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 179.668 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 8' ' ' GLN . 6.0 t . . . . . 0 CA--C 1.531 0.231 0 CA-C-O 120.593 0.235 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.413 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 39.8 tp10 -55.89 -51.57 67.14 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.154 0.502 . . . . 0.0 110.022 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -45.12 -58.89 2.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.608 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.433 ' H ' HG23 ' A' ' 5' ' ' THR . 26.5 tp60 -42.65 -59.1 2.04 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.7 pt -57.09 -49.24 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 119.93 -0.708 . . . . 0.0 111.101 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.96 87.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -57.5 -47.12 82.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.039 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.32 -43.23 99.31 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -56.43 -44.5 80.49 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.519 ' OE1' ' NH1' ' B' ' 60' ' ' ARG . 96.6 mt-10 -59.57 -55.11 38.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.071 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.521 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -59.26 -40.85 87.31 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.236 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -50.89 72.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.473 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 t -57.51 -34.94 69.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.306 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.65 -43.06 85.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 21' ' ' LYS . 53.8 m-85 -71.23 -51.74 22.92 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.551 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 27.7 t0 -55.15 82.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.649 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.0 mmmt -65.05 -55.35 19.39 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.534 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 22.3 p-10 -61.67 -18.54 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.318 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 63.09 41.02 99.89 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.067 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 26' ' ' THR . 29.6 p-10 -92.83 -6.45 48.81 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.011 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.46 6.88 43.76 Favored Glycine 0 N--CA 1.468 0.773 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.424 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 2.1 p -142.48 167.72 21.42 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.8 mt -118.16 137.6 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.653 HG22 ' N ' ' A' ' 29' ' ' THR . 80.2 m -116.72 168.58 10.08 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.015 0.436 . . . . 0.0 111.026 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.653 ' N ' HG22 ' A' ' 28' ' ' THR . 81.6 p -61.49 -41.01 96.63 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.594 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -71.58 -38.88 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.703 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 86.5 mt-10 -60.15 -58.24 9.4 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.266 0.555 . . . . 0.0 109.872 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -60.54 -46.11 91.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.541 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -40.28 39.99 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 m -61.04 -50.41 73.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.45 -39.84 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.189 0.518 . . . . 0.0 110.844 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.481 ' SD ' HD21 ' A' ' 48' ' ' LEU . 54.4 mtp -69.15 -41.33 77.42 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.003 0.43 . . . . 0.0 111.445 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -70.78 -51.05 29.48 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.447 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.0 m -52.51 -22.46 4.88 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.8 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.8 mt -90.35 -15.7 30.61 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.144 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.77 12.23 57.0 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.458 -0.401 . . . . 0.0 112.139 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.417 HE22 ' HB1' ' B' ' 54' ' ' ALA . 40.1 tt0 -90.33 168.64 11.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.933 0.366 . . . . 0.0 110.69 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.404 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 6.6 m120 -35.03 98.45 0.15 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.387 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -81.05 19.41 1.16 Allowed 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.486 2.124 . . . . 0.0 111.642 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 p -65.08 85.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -54.62 -12.96 0.84 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.333 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.21 -40.26 18.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.227 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.02 -45.26 93.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.392 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.6 mp -63.91 -54.32 36.56 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.902 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -49.6 -35.22 20.16 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.616 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -79.9 -43.83 21.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.2 mmt -62.45 -45.26 93.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.69 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 29' ' ' THR . 31.4 mt -64.18 -41.67 93.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -54.87 -39.5 68.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.687 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.72 -42.75 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.407 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.59 34.45 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.2 p30 -80.02 -151.96 0.07 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.973 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.11 -75.11 0.08 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.388 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -92.0 0.56 57.47 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.133 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.3 15.46 76.53 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -72.44 -14.91 61.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 110.586 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.28 16.14 80.01 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -129.39 159.27 36.75 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.089 0.471 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.479 HD11 HG23 ' A' ' 52' ' ' ILE . 33.9 mm -103.53 123.24 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.421 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -84.0 176.01 9.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.438 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 m-85 -51.56 -65.46 0.96 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.013 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.9 Cg_endo -59.09 -43.65 40.71 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.465 2.11 . . . . 0.0 112.692 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -50.09 -50.43 48.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -61.42 -48.61 80.39 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.509 0.671 . . . . 0.0 110.593 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.94 -24.77 40.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.427 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.9 m . . . . . 0 C--N 1.327 -0.394 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.455 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.78 88.74 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 111.144 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.618 ' O ' HD23 ' B' ' 50' ' ' LEU . 1.8 tt -61.91 -45.18 94.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.357 0.599 . . . . 0.0 109.962 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 80.3 p -62.45 -43.72 98.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -64.53 -45.02 88.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.272 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.25 -39.18 93.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.318 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . 0.417 ' HB1' HE22 ' A' ' 41' ' ' GLN . . . -65.5 -39.62 92.09 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.634 0.254 . . . . 0.0 111.202 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.61 88.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.4 -44.26 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.512 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -63.04 -48.52 78.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.786 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.94 95.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.13 -43.82 94.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.077 0.465 . . . . 0.0 110.245 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.519 ' NH1' ' OE1' ' A' ' 14' ' ' GLU . 16.8 mmm180 -63.81 -42.68 97.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.048 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -64.81 -43.69 92.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 109.884 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.87 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.285 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.0 -37.47 87.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.88 -49.07 78.95 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.071 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -35.06 60.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.153 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.166 -179.647 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 8' ' ' GLN . 8.7 t . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 120.884 0.373 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.61 -55.12 24.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.087 0.47 . . . . 0.0 110.192 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -44.68 -58.66 2.91 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.498 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.445 ' H ' HG23 ' A' ' 5' ' ' THR . 38.3 tp60 -46.01 -58.86 3.22 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -177.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.5 pt -57.26 -49.55 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.863 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.72 82.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.061 0.458 . . . . 0.0 109.885 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -57.8 -45.49 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.671 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.46 -44.15 95.3 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.209 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -56.58 -45.17 81.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.324 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.55 -55.16 38.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.125 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.514 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.68 -40.97 85.1 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.179 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CZ ' ' CE1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -58.96 -51.64 69.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.152 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.5 t -56.4 -35.61 67.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.11 -43.73 86.35 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.691 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 21' ' ' LYS . 53.1 m-85 -70.83 -50.19 38.12 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.802 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.473 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 37.1 t0 -60.46 76.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.823 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.7 mmmt -61.26 -51.74 67.64 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.345 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.421 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 5.3 m-20 -60.5 -18.11 49.72 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.49 41.64 98.75 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.946 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -98.13 -2.08 40.82 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.904 0.352 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.473 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 97.21 10.01 54.94 Favored Glycine 0 N--CA 1.468 0.818 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 p -141.96 159.61 41.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -113.67 139.88 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 29' ' ' THR . 90.9 m -124.54 165.37 17.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 111.216 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.601 ' N ' HG22 ' A' ' 28' ' ' THR . 36.7 p -56.54 -43.76 80.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.429 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -67.51 -41.77 83.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.795 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.462 ' HB2' ' H ' ' A' ' 28' ' ' THR . 54.3 mt-10 -58.32 -60.92 3.02 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.411 HD22 ' CH2' ' B' ' 52' ' ' TRP . 42.2 tp -61.91 -48.31 81.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.871 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.66 -44.32 23.0 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.4 m -60.27 -47.81 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.6 t -60.94 -40.54 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.732 0.301 . . . . 0.0 110.611 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.0 mtp -66.14 -43.17 87.81 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.29 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -68.36 -51.23 46.62 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.663 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.8 p -50.58 -28.0 7.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.457 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.0 mt -80.57 -17.98 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.16 19.19 17.39 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -74.33 129.13 37.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -51.01 152.67 3.59 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.469 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -40.35 97.86 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 122.321 2.014 . . . . 0.0 111.721 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 t -137.85 -1.67 1.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.272 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -53.35 -22.04 6.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.399 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 -43.04 57.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.255 0.55 . . . . 0.0 110.22 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -55.99 -47.01 78.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.445 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -61.3 -50.99 70.73 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.101 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -45.56 -43.55 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.035 0.445 . . . . 0.0 110.802 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -72.12 -39.41 68.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.255 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 55' ' ' VAL . 22.7 mmt -69.39 -48.26 61.71 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.625 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.9 mt -57.63 -42.1 80.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -60.27 -17.81 44.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.839 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -94.69 -55.27 3.19 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.477 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 51' ' ' MET . 15.4 m -65.41 -21.23 28.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 25.8 t0 -58.43 125.71 24.47 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.66 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.97 61.44 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.226 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -91.39 -3.73 56.41 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.554 0.216 . . . . 0.0 111.301 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.52 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 68.65 27.86 73.54 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.452 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 32.5 t-20 -79.79 -14.79 58.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 110.724 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.54 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 88.96 12.2 64.12 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.8 p -128.41 156.8 42.59 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.022 0.439 . . . . 0.0 110.737 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.0 mm -104.34 121.93 56.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.021 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 7.4 p30 -81.57 175.06 10.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.421 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.46 ' CE1' ' CZ ' ' A' ' 16' ' ' PHE . 2.9 m-85 -51.59 -64.72 1.26 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.394 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.2 Cg_endo -57.31 -47.53 21.84 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.477 2.118 . . . . 0.0 113.58 -177.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -49.65 -51.92 34.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.142 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 29.5 t80 -61.8 -49.13 77.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.143 0.497 . . . . 0.0 110.5 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tt -52.07 -28.8 18.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m . . . . . 0 C--N 1.327 -0.396 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.293 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.17 97.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.969 0.414 . . . . 0.0 111.126 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.02 -41.94 97.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 77.2 p -60.44 -43.81 96.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.16 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . 0.429 ' O ' HG22 ' B' ' 56' ' ' ILE . 55.1 m95 -66.45 -42.34 87.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.575 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.53 -41.29 96.47 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.438 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.21 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 111.326 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.35 -48.7 55.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.345 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.527 HG23 ' N ' ' B' ' 57' ' ' ASP . 20.2 tt -67.48 -43.02 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 110.837 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . 0.527 ' N ' HG23 ' B' ' 56' ' ' ILE . 63.7 t0 -63.29 -39.21 93.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.494 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.0 -49.27 18.09 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.644 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.92 94.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.07 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -64.77 -41.75 95.64 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.56 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.499 ' O ' ' SD ' ' B' ' 65' ' ' MET . 59.6 tt0 -53.85 -45.49 70.96 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.65 91.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.956 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -63.14 -44.43 95.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.471 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 38.7 tp -61.85 -43.48 98.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.947 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . 0.562 ' N ' ' SD ' ' B' ' 65' ' ' MET . 0.0 OUTLIER -66.25 -37.38 85.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.41 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 C-N-CA 121.217 -0.516 . . . . 0.0 111.94 179.608 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 121.217 0.532 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 39.2 tp10 -46.9 -57.89 4.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.775 0.798 . . . . 0.0 110.216 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.58 -56.68 4.87 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.541 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -45.58 -56.34 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 13.2 pt -57.63 -47.6 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.81 -178.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -62.89 -36.57 83.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.122 0.487 . . . . 0.0 109.815 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.12 -48.72 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.35 -38.97 93.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.895 0.379 . . . . 0.0 110.099 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -45.59 82.19 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.32 -54.75 43.17 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.757 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -56.25 -39.82 73.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.984 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -52.47 65.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -54.96 -32.58 61.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.943 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.4 -41.88 75.85 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.856 -0.337 . . . . 0.0 111.48 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 21' ' ' LYS . 60.7 m-85 -71.63 -55.41 7.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.803 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 28.0 t0 -54.33 84.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.751 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 19' ' ' PHE . 33.1 mmtt -65.96 -55.21 17.94 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.658 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 21.8 p30 -63.06 -18.54 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 64.05 41.37 98.56 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.023 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -89.66 -5.55 56.99 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.021 0.41 . . . . 0.0 111.24 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.38 0.78 50.48 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -140.07 158.6 43.8 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.2 mt -107.62 139.79 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.137 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.547 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 5.4 t -130.05 -176.94 4.1 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.991 0.424 . . . . 0.0 110.854 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.519 HG21 ' HG2' ' A' ' 49' ' ' GLN . 63.6 p -60.44 -46.51 89.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.107 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' H ' HG23 ' A' ' 28' ' ' THR . 55.1 mtpt -65.88 -46.39 78.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.304 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' A' ' 28' ' ' THR . 28.0 mt-10 -54.56 -60.38 3.43 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.259 0.552 . . . . 0.0 109.856 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.16 -45.24 94.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.752 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.17 -43.89 33.36 Favored Glycine 0 N--CA 1.454 -0.138 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.4 m -59.31 -49.61 77.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.81 -40.69 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.49 ' SD ' HD21 ' A' ' 48' ' ' LEU . 41.9 mtp -66.66 -40.75 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.693 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' GLY . 75.8 ttt180 -76.18 -50.83 13.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 m -50.32 -25.13 3.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.686 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.83 -14.31 34.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 95.56 19.13 30.63 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 112.083 -0.407 . . . . 0.0 112.083 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.552 ' HG2' ' H ' ' A' ' 42' ' ' ASN . 26.0 tt0 -96.46 177.84 5.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.015 0.436 . . . . 0.0 110.527 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.552 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 12.6 m120 -36.25 101.92 0.22 Allowed Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.273 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -74.83 -16.24 20.76 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.56 2.174 . . . . 0.0 112.031 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.33 125.38 23.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.557 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 46' ' ' ALA . 68.3 tt0 -81.76 -44.64 16.73 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.799 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -39.23 -45.67 1.4 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.427 0.632 . . . . 0.0 109.306 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -58.98 -54.6 45.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.257 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.49 HD21 ' SD ' ' A' ' 36' ' ' MET . 7.4 mp -54.04 -50.98 65.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.519 ' HG2' HG21 ' A' ' 29' ' ' THR . 75.7 mt-30 -51.72 -28.7 15.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.37 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -78.62 -46.82 18.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.964 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.0 mtt -65.24 -44.7 87.37 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.73 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 mt -64.22 -43.42 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -61.88 -39.37 91.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.059 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -66.47 -39.68 88.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.183 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.5 m -105.09 27.26 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' A' ' 57' ' ' ALA . 38.5 t0 -75.69 -140.34 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.754 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.517 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . -168.88 -73.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.253 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -85.24 -2.09 57.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.682 0.277 . . . . 0.0 111.449 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.27 12.39 82.25 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.94 -20.16 61.8 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.086 0.469 . . . . 0.0 110.387 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.63 17.04 66.88 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.1 p -130.69 156.72 44.45 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.822 0.344 . . . . 0.0 110.774 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.05 119.64 53.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.163 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -84.13 176.89 8.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.305 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.4 m-85 -50.34 -66.43 0.65 Allowed Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.151 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.2 Cg_endo -57.35 -43.3 53.33 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.429 2.086 . . . . 0.0 113.185 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -50.57 -52.97 34.15 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.667 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -61.58 -45.31 94.67 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.522 0.677 . . . . 0.0 110.024 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.694 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.4 tm? -54.91 -35.88 64.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.137 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.5 m . . . . . 0 C--N 1.323 -0.546 0 O-C-N 121.617 -0.677 . . . . 0.0 112.606 -178.78 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.339 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.08 -39.23 93.62 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.02 0.438 . . . . 0.0 110.999 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.42 -42.72 98.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.44 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 72.0 m -60.23 -45.07 94.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.416 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -66.46 -46.91 74.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.407 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -61.85 -41.87 98.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.307 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . 0.547 ' HB1' HE22 ' A' ' 41' ' ' GLN . . . -65.52 -40.45 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.191 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.05 93.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.362 . . . . 0.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 94.9 mt -65.13 -43.93 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.654 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.37 -47.9 82.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.792 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.63 -38.41 77.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.77 72.72 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.35 0.595 . . . . 0.0 110.134 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -65.78 -34.03 77.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.731 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -56.44 -45.59 80.71 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.75 89.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.279 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -63.4 -44.28 95.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.708 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.54 -45.76 91.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 88.7 mmm -67.65 -37.76 82.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.126 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.816 -0.513 . . . . 0.0 111.816 179.476 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 8' ' ' GLN . 7.7 t . . . . . 0 CA--C 1.532 0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.68 -49.72 76.38 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 121.241 0.543 . . . . 0.0 109.659 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -46.07 -55.18 7.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.828 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.433 ' H ' HG23 ' A' ' 5' ' ' THR . 45.2 tp60 -45.91 -58.15 3.78 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.1 pt -56.78 -47.3 82.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.708 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.32 94.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.33 0.586 . . . . 0.0 109.921 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -52.21 -44.89 65.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.412 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.19 -43.1 96.1 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.066 179.621 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -56.97 -45.87 82.58 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.85 0.357 . . . . 0.0 110.372 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.8 -53.45 57.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.761 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.77 80.06 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.276 0.56 . . . . 0.0 109.934 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -51.28 70.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.738 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.2 t -54.17 -36.68 63.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.13 -42.57 96.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' LYS . 55.3 m-85 -71.5 -50.42 31.68 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.631 -0.428 . . . . 0.0 112.036 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 66.4 t0 -61.8 71.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.265 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.8 mmmt -56.44 -48.99 75.87 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.905 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -61.29 -16.95 50.89 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.403 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.57 41.14 72.66 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.773 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -92.76 -3.76 54.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.066 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.56 3.41 43.59 Favored Glycine 0 N--CA 1.466 0.695 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.9 p -144.11 165.57 27.44 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -110.19 132.12 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.579 HG22 ' N ' ' A' ' 29' ' ' THR . 88.4 m -112.87 164.06 13.88 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.961 0.41 . . . . 0.0 110.865 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.579 ' N ' HG22 ' A' ' 28' ' ' THR . 32.0 p -56.58 -41.74 77.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.609 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -69.0 -42.85 75.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.656 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -57.33 -62.88 1.46 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.052 0.453 . . . . 0.0 109.94 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.44 -45.19 94.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.719 178.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.587 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -52.39 -44.45 58.57 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -178.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.0 m -61.94 -44.28 97.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.62 -39.83 84.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 CA-C-O 120.693 0.282 . . . . 0.0 111.069 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.475 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 56.2 mmm -67.12 -47.34 71.44 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.631 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -69.38 -50.21 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.51 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.4 t -52.08 -21.33 3.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.522 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.4 mt -82.68 -12.78 57.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.351 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.79 17.91 26.76 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -82.65 123.98 29.77 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.969 0.414 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -42.1 155.21 0.25 Allowed Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.29 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -40.06 98.49 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.271 0 C-N-CA 122.191 1.927 . . . . 0.0 111.622 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -135.46 -1.15 2.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -53.97 -19.12 4.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.398 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.27 -40.37 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.153 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -58.16 -47.5 83.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.551 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.528 ' N ' HD22 ' A' ' 48' ' ' LEU . 4.2 mm? -64.56 -51.44 62.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.227 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -46.64 -42.17 15.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.448 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -68.67 -38.88 80.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.714 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.9 mmt -63.98 -47.82 78.85 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.6 mt -62.4 -42.91 97.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -52.33 -17.65 1.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 56' ' ' ASP . 84.3 tt0 -99.62 -58.82 1.84 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.284 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.47 30.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 22.8 t0 -89.37 114.18 25.58 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.261 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.84 -67.57 0.35 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -91.93 -3.57 55.78 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.05 17.3 74.85 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -71.46 -21.08 62.0 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.016 0.436 . . . . 0.0 110.534 -179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.529 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 91.5 20.8 36.55 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 p -137.66 160.9 37.92 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.737 0.303 . . . . 0.0 110.805 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.5 mm -110.38 129.08 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.372 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.45 -179.24 5.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.392 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -49.99 -68.11 0.39 Allowed Pre-proline 0 CA--C 1.546 0.811 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.468 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 21.0 Cg_endo -58.89 -48.06 15.92 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.399 2.066 . . . . 0.0 113.365 -177.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -51.07 -48.53 61.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.939 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' C ' ' CD1' ' A' ' 68' ' ' PHE . 25.1 t80 -59.01 -50.04 75.62 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.818 0.818 . . . . 0.0 109.802 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.698 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.2 tm? -59.01 -56.35 23.39 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.469 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.512 ' N ' HD13 ' A' ' 69' ' ' LEU . 17.3 m . . . . . 0 C--N 1.321 -0.657 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.687 -177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.299 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.59 90.15 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 111.033 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 52.8 tp -63.62 -41.45 98.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.31 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 70.8 m -59.28 -43.47 92.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.207 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -66.24 -45.79 79.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.629 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.27 -39.04 89.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.047 0.451 . . . . 0.0 111.528 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.75 76.22 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.412 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.475 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -69.19 -42.81 75.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.347 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.528 HD13 ' O ' ' B' ' 56' ' ' ILE . 0.3 OUTLIER -66.46 -40.17 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.238 0.542 . . . . 0.0 110.622 -179.33 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -61.72 -43.22 99.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.222 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.41 -39.11 74.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.478 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.71 98.34 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.027 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -48.17 79.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.476 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -65.04 -40.39 94.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.101 0.477 . . . . 0.0 109.837 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.36 89.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.586 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.43 -47.48 83.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.73 -41.74 98.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.099 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 26.7 ttt -65.96 -37.71 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.98 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 179.562 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.885 0.374 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.41 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 83.7 tt0 -46.56 -58.61 3.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.395 0.617 . . . . 0.0 110.701 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.523 ' CG ' ' H ' ' A' ' 8' ' ' GLN . 5.4 pt-20 -47.33 -59.53 3.13 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.494 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.523 ' H ' ' CG ' ' A' ' 7' ' ' GLU . 67.0 mt-30 -42.55 -55.3 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 11.2 pt -61.03 -48.31 89.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.821 -0.752 . . . . 0.0 110.581 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.9 82.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -54.26 -41.72 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.944 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.441 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.28 -44.56 94.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.065 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -59.42 -44.53 92.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -57.94 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.69 -43.18 84.92 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.068 0.461 . . . . 0.0 110.094 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -50.89 71.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.691 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -57.08 -32.7 66.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 18' ' ' LEU . 82.3 mt -67.52 -41.2 84.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.736 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 21' ' ' LYS . 31.1 m-85 -80.77 -43.68 19.77 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.592 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 68.2 t0 -65.47 61.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.344 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.3 mmmt -51.93 -43.5 63.48 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.48 -19.41 62.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.52 37.21 74.04 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.968 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.3 p-10 -98.44 -17.85 18.56 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.927 0.364 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.479 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 114.7 9.72 13.83 Favored Glycine 0 N--CA 1.469 0.859 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.43 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -143.55 154.73 43.9 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.2 mt -112.95 126.3 70.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 31' ' ' GLU . 15.2 t -114.64 176.86 4.87 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.068 0.461 . . . . 0.0 111.125 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 p -61.36 -38.42 86.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.809 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -68.53 -45.1 73.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.151 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.535 ' H ' HG23 ' A' ' 28' ' ' THR . 33.1 mt-10 -58.94 -63.25 1.37 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 109.917 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.4 tp -61.65 -49.55 76.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.745 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.33 -41.08 23.6 Favored Glycine 0 CA--C 1.518 0.243 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.6 m -61.48 -51.81 67.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.83 -40.46 85.23 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-O 120.741 0.305 . . . . 0.0 111.037 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 53.6 mmm -65.67 -29.38 69.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.919 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -74.39 -50.36 18.9 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.343 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.7 t -60.24 -30.98 69.77 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.215 0.531 . . . . 0.0 110.779 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD22 ' HB1' ' B' ' 58' ' ' ALA . 66.0 mt -69.27 -30.11 68.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.467 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.35 18.59 10.16 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.475 HE21 ' ND2' ' A' ' 42' ' ' ASN . 69.8 tp60 -78.85 155.35 29.18 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.058 0.456 . . . . 0.0 110.899 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.475 ' ND2' HE21 ' A' ' 41' ' ' GLN . 80.0 m-20 -37.04 142.43 0.37 Allowed Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.505 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' A' ' 45' ' ' GLU . 56.3 Cg_endo -72.28 -7.7 21.42 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 122.554 2.169 . . . . 0.0 111.864 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 44' ' ' THR . 9.7 t -57.8 77.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.305 0.574 . . . . 0.0 111.456 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 43' ' ' PRO . 15.3 pt-20 -69.6 -7.97 43.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.547 0.689 . . . . 0.0 110.163 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.64 65.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.598 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -57.04 -47.43 80.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.704 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.526 ' N ' HD12 ' A' ' 48' ' ' LEU . 7.3 mp -61.99 -49.26 76.76 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -52.27 -45.49 65.45 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -73.56 -41.72 62.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.238 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.1 mmt -61.03 -49.9 75.53 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.635 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.4 mt -64.27 -42.19 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 35.5 t-20 -57.37 -35.78 70.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.735 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -67.44 -44.03 79.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.261 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 56' ' ' ASP . 18.8 m -95.35 16.9 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 55' ' ' VAL . 54.7 p30 -59.88 -145.36 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.977 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.38 -66.15 0.12 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.22 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -99.37 12.08 37.32 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.492 0.187 . . . . 0.0 111.441 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.67 18.1 79.85 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -108.28 -0.27 20.91 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.458 -0.371 . . . . 0.0 110.366 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.636 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 71.43 176.4 24.56 Favored Glycine 0 C--O 1.221 -0.705 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.636 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 17.5 p 92.28 138.13 0.03 OUTLIER 'General case' 0 C--N 1.347 0.496 0 O-C-N 124.271 0.63 . . . . 0.0 111.396 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.6 mm -105.86 135.41 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.161 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.44 176.28 6.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.485 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.2 m-85 -52.94 -66.1 0.89 Allowed Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.947 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 18.6 Cg_endo -58.95 -44.25 36.82 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.49 2.127 . . . . 0.0 113.065 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -48.94 -54.94 13.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.037 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -61.06 -49.08 78.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.264 0.554 . . . . 0.0 110.575 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.37 -27.29 46.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.769 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.33 -0.253 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.393 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.28 96.75 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.967 0.413 . . . . 0.0 111.047 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.9 tp -63.14 -40.25 97.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.149 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 15.8 t -61.14 -44.58 97.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.267 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -63.27 -46.64 85.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.407 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -65.35 -42.93 92.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.479 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.89 86.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.611 0.243 . . . . 0.0 111.144 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.38 91.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.728 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.79 -44.04 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.04 -47.76 84.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.793 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.53 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -69.5 -39.74 77.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.81 97.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.135 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -62.24 -46.24 89.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.849 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -64.89 -38.91 92.54 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.87 95.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.381 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.46 -42.93 98.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.51 -43.23 99.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.47 -36.81 83.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.905 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 179.736 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' H ' ' A' ' 7' ' ' GLU . 9.9 t . . . . . 0 N--CA 1.469 0.518 0 CA-C-O 120.758 0.313 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.482 ' N ' ' OG1' ' A' ' 5' ' ' THR . 83.3 tt0 -69.66 -40.72 76.28 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.779 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.497 ' H ' HG23 ' A' ' 5' ' ' THR . 32.0 tt0 -51.56 -62.86 1.36 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -49.02 -53.75 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -176.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 6' ' ' GLU . 12.6 pt -54.54 -43.83 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.333 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.45 84.91 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.899 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.2 -46.39 85.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.802 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -43.56 98.51 Favored 'General case' 0 CA--C 1.533 0.288 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.34 -44.14 75.64 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.298 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.23 -55.28 33.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.538 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.31 -40.99 79.02 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.839 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -49.92 75.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.7 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -57.93 -32.54 67.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.948 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.92 -45.01 68.46 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.987 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 43.4 m-85 -73.27 -44.35 59.44 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.569 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 44.5 t0 -64.01 70.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.902 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.9 mmmt -58.57 -49.17 78.41 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.038 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' OD2' ' OD2' ' A' ' 24' ' ' ASP . 41.8 t0 -60.49 -18.24 50.43 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.96 40.54 95.52 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.539 178.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.59 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -99.87 -7.89 24.75 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.213 0.507 . . . . 0.0 110.783 179.632 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.455 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 101.87 10.64 39.66 Favored Glycine 0 N--CA 1.467 0.757 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -141.33 150.99 43.2 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.8 mt -110.02 144.22 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 31' ' ' GLU . 2.9 t -138.43 164.49 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.186 0.517 . . . . 0.0 110.882 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 29' ' ' THR . 5.6 p -51.51 -42.7 61.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.887 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -64.62 -44.62 89.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.453 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.631 ' H ' HG23 ' A' ' 28' ' ' THR . 88.4 mt-10 -63.52 -62.38 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.196 0.522 . . . . 0.0 110.244 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.681 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.36 -43.6 98.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.497 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.681 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -54.51 -42.63 76.54 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -178.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.4 m -59.56 -47.87 83.86 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.17 -41.31 86.24 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-O 120.823 0.344 . . . . 0.0 110.466 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.481 ' CE ' ' OE1' ' A' ' 41' ' ' GLN . 59.0 mmm -63.78 -40.77 97.46 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.027 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -68.81 -50.58 48.9 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.116 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -52.21 -33.05 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.628 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.4 mt -69.55 -18.69 63.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.206 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.25 24.72 10.04 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.481 ' OE1' ' CE ' ' A' ' 36' ' ' MET . 88.6 mt-30 -82.22 126.77 32.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.562 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.432 ' CB ' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -50.13 179.39 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.433 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.162 -178.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 42' ' ' ASN . 26.6 Cg_exo -61.41 100.79 0.19 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.265 1.977 . . . . 0.0 111.645 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.7 t -148.1 2.42 0.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.926 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.82 -16.08 4.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.285 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.14 -42.6 62.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.392 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 15.7 mp0 -53.32 -49.33 67.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.73 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.644 ' HG ' HD21 ' A' ' 32' ' ' LEU . 4.6 mm? -63.36 -48.59 77.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.549 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -47.64 -48.53 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.756 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -70.43 -39.28 74.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.44 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.438 ' O ' HG22 ' A' ' 55' ' ' VAL . 40.9 mtt -65.34 -42.77 92.55 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.8 -44.92 98.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -62.2 -32.21 72.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.714 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -77.99 -56.44 4.48 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 51' ' ' MET . 16.1 m -64.43 -34.96 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.586 ' CG ' ' H ' ' A' ' 59' ' ' GLY . 60.9 t0 -40.62 130.03 2.46 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.451 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . -85.76 -39.91 16.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.808 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -87.3 -20.61 26.58 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 111.337 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.586 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 80.75 17.46 72.83 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.51 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 99.3 m-20 -71.57 -19.95 62.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.977 0.418 . . . . 0.0 110.316 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.58 7.02 60.6 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.1 p -129.74 161.19 31.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.657 0.265 . . . . 0.0 110.684 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.7 mm -105.33 124.66 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -91.56 -176.94 4.66 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 111.253 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -52.66 -46.05 96.18 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.372 -179.134 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 2.1 Cg_endo -75.0 -50.49 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.783 2.322 . . . . 0.0 113.085 -176.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -53.79 -41.72 67.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.464 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -71.71 -65.71 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.505 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 tt -47.87 -26.22 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.571 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.8 m . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.128 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.03 95.52 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.112 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 58.0 tp -63.01 -43.94 97.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.252 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 71.9 m -64.65 -52.31 58.0 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.718 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -47.77 84.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.142 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -65.94 -37.73 86.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.245 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.74 -34.97 75.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.079 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.59 -49.79 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.665 ' N ' HD12 ' B' ' 56' ' ' ILE . 2.2 mp -65.28 -43.9 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 110.719 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.27 -45.51 94.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.692 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.51 79.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.594 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.22 92.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.136 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -62.16 -45.99 90.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.558 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -65.94 -40.55 91.48 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.41 99.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.46 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.49 -45.69 89.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 63.1 mt -63.4 -42.99 98.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.922 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 95.7 mtp -68.14 -37.63 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.088 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 179.664 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 7' ' ' GLU . 1.2 t . . . . . 0 CA--C 1.534 0.335 0 CA-C-O 120.767 0.318 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -55.3 -53.49 55.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.105 0.479 . . . . 0.0 110.203 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.438 ' N ' HG23 ' A' ' 5' ' ' THR . 26.9 tt0 -45.71 -57.65 4.08 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.862 0.363 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -44.36 -57.68 3.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -176.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 10' ' ' ALA . 13.5 pt -56.95 -47.09 83.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.675 -178.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -61.71 -40.03 93.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 0.0 109.979 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HG2' HH22 ' B' ' 60' ' ' ARG . 83.6 tt0 -57.93 -45.25 86.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.808 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -65.64 -40.21 92.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.179 179.745 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.3 -40.69 74.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.099 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.9 -54.67 31.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.915 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.44 -39.62 76.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.046 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -50.06 75.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.678 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.6 t -57.26 -33.46 67.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.148 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.8 mt -68.51 -42.53 78.44 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.615 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.0 m-85 -71.87 -52.65 16.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.771 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.468 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.5 t0 -59.85 77.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.599 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -60.99 -52.26 65.76 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.288 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.542 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.9 p-10 -61.99 -18.72 61.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 60.41 41.66 98.63 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.113 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -89.81 -4.06 57.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.005 0.402 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.43 1.48 47.19 Favored Glycine 0 N--CA 1.467 0.722 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -140.68 170.51 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -114.77 134.67 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.559 HG22 ' N ' ' A' ' 29' ' ' THR . 51.4 m -110.05 164.35 12.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.107 0.48 . . . . 0.0 111.175 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.559 ' N ' HG22 ' A' ' 28' ' ' THR . 7.3 m -61.13 -42.16 98.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.793 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -70.39 -41.03 73.57 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.767 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -54.71 -60.04 3.9 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.8 tp -58.58 -47.56 83.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.791 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.01 -43.52 31.64 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.6 m -61.31 -47.06 87.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.18 -35.78 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.978 0.418 . . . . 0.0 110.631 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.632 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 42.6 mmm -67.98 -47.29 68.95 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.677 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -67.34 -47.47 70.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.792 0.33 . . . . 0.0 110.474 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.8 p -52.46 -25.27 9.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.713 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.0 mt -83.27 -11.72 57.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.88 19.37 22.19 Favored Glycine 0 N--CA 1.465 0.628 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -84.12 122.93 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.003 0.43 . . . . 0.0 110.756 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -42.02 148.6 0.47 Allowed Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.575 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -42.17 120.04 1.45 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.167 1.911 . . . . 0.0 111.804 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -150.7 17.28 0.79 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.423 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -53.52 -19.58 3.9 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.285 0.564 . . . . 0.0 110.401 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.61 -41.04 55.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.206 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -57.26 -43.9 83.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.595 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.7 mp -62.02 -52.3 64.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.033 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -47.62 -42.71 24.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.873 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -79.03 -41.43 28.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.661 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.635 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 14.6 mmt -62.65 -50.33 71.65 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.992 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 63' ' ' ILE . 63.2 mt -64.32 -43.92 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.947 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -46.84 -17.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.187 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 52' ' ' ILE . 79.6 mm-40 -104.59 -54.96 2.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.645 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 m -89.53 34.96 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.642 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 14.4 t70 -85.93 -24.41 26.58 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.884 0.373 . . . . 0.0 111.078 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 56' ' ' ASP . . . 82.58 -61.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -96.46 -4.57 41.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.47 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.566 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 69.28 16.78 71.56 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 98.0 m-20 -75.26 -23.51 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.407 . . . . 0.0 110.577 -179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.586 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 100.05 -0.27 56.16 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.569 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 5.6 p -121.97 155.12 36.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.975 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.45 HD11 HG23 ' A' ' 52' ' ' ILE . 18.3 mm -103.7 121.48 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.087 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -82.52 174.7 10.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.4 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -51.24 -65.98 0.8 Allowed Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.138 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 16.4 Cg_endo -56.06 -44.8 43.47 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.685 2.256 . . . . 0.0 113.203 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -49.55 -53.64 22.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -61.25 -46.84 88.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.804 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.724 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.3 tm? -51.95 -37.87 54.4 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.27 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.656 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.635 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.2 94.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.775 0.321 . . . . 0.0 111.157 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.65 -41.8 99.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.335 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -59.27 -46.7 87.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.351 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -67.44 -46.54 72.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.582 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -59.34 -44.83 92.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.454 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.88 97.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.032 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.632 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -68.31 -46.59 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.25 -44.22 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.414 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -63.99 -45.56 88.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.784 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.73 82.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.1 93.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.011 0.434 . . . . 0.0 110.026 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . 0.432 HH22 ' HG2' ' A' ' 11' ' ' GLU . 19.4 mmt85 -66.07 -39.68 90.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.08 -40.69 95.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.821 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.95 -47.67 82.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.43 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.77 -41.06 96.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.568 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.6 tp -61.61 -45.91 92.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.16 -36.43 79.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.894 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.878 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 179.74 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 120.787 0.327 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.409 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 81.4 tt0 -46.35 -57.22 4.82 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 121.121 0.486 . . . . 0.0 110.123 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -43.59 -56.19 3.85 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.178 -0.326 . . . . 0.0 110.468 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -41.92 -58.84 1.91 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.432 HG13 ' H ' ' A' ' 10' ' ' ALA . 10.3 pt -58.6 -49.48 82.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.196 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -58.74 -37.05 75.33 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -59.47 -44.82 92.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.179 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.27 -43.93 96.54 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.011 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -60.44 -45.53 93.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.368 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -56.01 -54.31 46.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.027 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.69 -45.96 88.32 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.315 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -49.74 74.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -58.45 -37.68 75.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.455 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.94 -41.43 97.95 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.19 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 62.6 m-85 -73.11 -41.11 64.37 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.912 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.531 ' OD2' ' N ' ' A' ' 26' ' ' THR . 46.2 t0 -66.96 68.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.072 -179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.8 mmmt -57.65 -47.61 81.78 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.698 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 20.1 t0 -57.42 -16.11 8.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.89 36.98 56.82 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.195 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -98.13 -2.53 39.78 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.931 0.366 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.86 4.75 51.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.531 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 4.9 p -143.69 156.68 44.61 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 122.553 -0.38 . . . . 0.0 110.095 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -105.05 127.36 59.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.607 HG22 ' N ' ' A' ' 29' ' ' THR . 61.2 m -108.38 164.82 12.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.607 ' N ' HG22 ' A' ' 28' ' ' THR . 40.0 p -54.76 -43.48 72.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.693 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.438 ' H ' HG22 ' A' ' 28' ' ' THR . 9.2 mtpm? -67.4 -40.92 85.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.713 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.09 -57.43 12.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.086 0.47 . . . . 0.0 109.877 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.15 -48.77 80.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.747 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.13 -44.11 26.0 Favored Glycine 0 CA--C 1.519 0.309 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.1 m -59.71 -49.27 78.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.98 -41.79 90.45 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 CA-C-O 120.629 0.252 . . . . 0.0 110.855 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.427 ' HA ' HD12 ' A' ' 39' ' ' LEU . 61.3 mmm -63.36 -34.25 77.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.353 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -80.6 -50.35 10.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.2 m -48.84 -18.53 0.28 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.759 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 36' ' ' MET . 39.9 mt -68.13 -14.12 62.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.369 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.14 39.07 2.53 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.68 -0.568 . . . . 0.0 111.68 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 42' ' ' ASN . 46.0 tt0 -144.6 171.84 13.81 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.579 -0.365 . . . . 0.0 110.628 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.539 ' N ' ' ND2' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -116.44 77.72 7.94 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.232 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -79.48 177.26 8.71 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.9 2.4 . . . . 0.0 111.657 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.9 m -120.59 148.78 43.43 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 110.599 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 6.0 pt-20 -70.12 -56.09 7.77 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.18 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -39.68 -43.64 1.4 Allowed 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -57.56 -63.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.045 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 mp -57.27 -50.36 73.16 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.432 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 26.3 mt-30 -50.56 -26.84 5.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.513 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -80.52 -42.76 21.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.846 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.481 ' O ' HG22 ' A' ' 55' ' ' VAL . 26.4 mmt -62.32 -45.53 92.81 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.623 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.467 HG23 HD11 ' A' ' 63' ' ' ILE . 20.6 mt -66.54 -44.92 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 49' ' ' GLN . 7.4 m120 -60.41 -37.54 81.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.81 -40.07 95.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.145 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.894 HG23 ' H ' ' A' ' 56' ' ' ASP . 29.5 m -98.33 -67.27 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 119.483 -0.294 . . . . 0.0 111.709 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.894 ' H ' HG23 ' A' ' 55' ' ' VAL . 10.8 p-10 30.67 -138.07 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.065 0.228 . . . . 0.0 111.122 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -173.2 -71.55 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.715 0.293 . . . . 0.0 110.78 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.65 -3.47 59.04 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.071 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.47 7.98 85.61 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -71.82 -16.11 62.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.993 0.425 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.01 17.67 64.71 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -127.27 153.67 45.86 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.001 0.429 . . . . 0.0 110.812 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.467 HD11 HG23 ' A' ' 52' ' ' ILE . 20.6 mm -107.85 128.61 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.536 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -96.94 175.67 6.25 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.416 0.627 . . . . 0.0 110.895 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -47.25 -56.03 13.84 Favored Pre-proline 0 C--O 1.243 0.751 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.703 -179.564 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 41.6 Cg_endo -69.96 -41.6 3.88 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.148 1.899 . . . . 0.0 112.67 -178.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -58.48 -44.0 89.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.341 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 19.7 t80 -61.44 -50.08 74.24 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.444 0.64 . . . . 0.0 109.999 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.94 -51.42 68.17 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.289 -0.565 . . . . 0.0 110.96 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.7 m . . . . . 0 C--N 1.322 -0.62 0 O-C-N 122.16 -0.338 . . . . 0.0 111.568 -178.178 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.31 94.82 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.842 0.353 . . . . 0.0 111.166 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.27 -43.17 98.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.302 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -60.3 -46.43 89.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.35 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -66.89 -46.58 74.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.403 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.1 -44.89 96.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.434 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.38 93.42 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.266 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.77 90.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.94 -44.13 97.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.635 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.05 -48.42 80.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . 0.403 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -64.76 -38.6 91.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.519 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.58 -39.1 92.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.025 0.441 . . . . 0.0 109.907 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -63.39 -45.38 91.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.778 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.02 -38.93 92.52 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.62 98.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.514 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.9 -44.25 96.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.652 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.97 -44.13 97.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.0 mmm -67.9 -36.47 80.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.088 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 179.625 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.571 HG22 ' N ' ' A' ' 6' ' ' GLU . 94.2 m . . . . . 0 N--CA 1.467 0.424 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.571 ' N ' HG22 ' A' ' 5' ' ' THR . 44.0 tt0 -47.57 -59.96 2.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.39 0.614 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.49 -60.97 1.88 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.556 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -44.29 -60.36 1.95 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 10' ' ' ALA . 16.0 pt -55.51 -49.8 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.784 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.426 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -58.78 -29.45 66.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -66.12 -46.85 76.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.208 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.491 ' CZ ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -63.26 -44.63 94.59 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.183 -179.362 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -57.2 -47.86 80.21 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.55 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -56.99 -56.28 23.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.995 0.426 . . . . 0.0 110.367 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.65 -42.67 88.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.252 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.89 -51.7 68.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.836 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 t -56.39 -35.71 68.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.5 -43.16 86.07 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.584 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.8 m-85 -69.68 -52.9 21.57 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.715 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 26' ' ' THR . 45.8 t0 -59.86 76.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.941 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.4 mmmt -61.6 -52.97 62.21 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.293 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 4.6 m-20 -59.02 -19.17 41.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.63 41.7 99.78 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.817 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -95.81 -2.26 47.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.813 0.306 . . . . 0.0 111.249 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.74 8.48 55.75 Favored Glycine 0 N--CA 1.468 0.772 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 12.6 p -141.48 169.78 16.96 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.9 mt -119.56 142.98 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.618 HG22 ' N ' ' A' ' 29' ' ' THR . 96.4 m -127.97 165.22 20.68 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.065 0.459 . . . . 0.0 111.226 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.618 ' N ' HG22 ' A' ' 28' ' ' THR . 40.2 p -54.5 -44.11 72.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.579 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.6 -41.81 83.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.476 ' HB2' ' H ' ' A' ' 28' ' ' THR . 55.7 mt-10 -60.2 -63.33 1.34 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.171 0.51 . . . . 0.0 109.989 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -61.85 -44.42 96.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.559 179.079 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.721 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -53.28 -43.55 64.65 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -178.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.4 m -60.85 -47.24 87.25 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.52 -40.68 79.57 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 CA-C-O 120.656 0.265 . . . . 0.0 111.012 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 40.5 mtp -65.59 -38.75 90.38 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.298 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -73.22 -50.85 20.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.776 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -51.06 -32.2 21.2 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.785 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.16 -13.17 62.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.73 24.37 38.93 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 112.147 -0.381 . . . . 0.0 112.147 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -91.58 144.35 25.63 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.999 0.4 . . . . 0.0 110.651 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -42.76 153.85 0.31 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.464 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.75 125.19 14.93 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.353 2.035 . . . . 0.0 111.633 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.428 ' OG1' ' OE1' ' A' ' 47' ' ' GLU . 10.5 t -156.98 14.48 0.27 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.442 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -55.32 -19.06 7.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.207 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.84 -44.18 50.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.153 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' OE1' ' OG1' ' A' ' 44' ' ' THR . 86.0 mt-10 -54.83 -50.53 68.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.103 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.658 ' HG ' HD21 ' A' ' 32' ' ' LEU . 4.6 mm? -61.27 -51.0 70.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.212 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -44.87 -44.25 9.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.735 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -71.37 -38.42 71.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.027 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.421 ' O ' HG22 ' A' ' 55' ' ' VAL . 23.6 mmt -70.45 -48.28 56.64 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.418 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.1 mt -61.1 -42.92 95.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -58.37 -16.31 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' C ' ' H ' ' A' ' 56' ' ' ASP . 41.1 tt0 -97.83 -59.83 1.69 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.565 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 51' ' ' MET . 24.2 m -62.46 4.72 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 10.8 t0 -79.7 121.71 25.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.679 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.39 -48.01 62.49 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.243 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -90.74 -8.2 50.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.422 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 75.27 25.41 68.53 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.064 -1.215 . . . . 0.0 110.064 -179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -79.92 -10.63 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 0.0 110.551 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.558 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 80.04 18.25 72.65 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.1 p -132.03 158.45 41.51 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.896 0.379 . . . . 0.0 111.011 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.7 mm -104.66 120.03 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.294 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -81.69 176.3 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.196 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -52.8 -61.56 4.56 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.977 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 15.5 Cg_endo -55.45 -48.16 22.0 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.529 2.153 . . . . 0.0 113.229 -176.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -54.98 -47.0 75.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.089 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.64 -64.39 0.96 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.13 0.491 . . . . 0.0 110.755 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tt -46.04 -26.8 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.575 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m . . . . . 0 C--N 1.328 -0.338 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.022 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.369 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.74 89.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.591 HD13 ' O ' ' B' ' 50' ' ' LEU . 0.2 OUTLIER -63.23 -42.69 99.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.53 0.681 . . . . 0.0 109.957 -179.703 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.0 m -55.13 -44.15 74.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.157 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -68.28 -46.81 69.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.52 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -61.18 -46.92 88.49 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.478 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.32 90.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.703 0.287 . . . . 0.0 111.197 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.85 96.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.901 0.381 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.42 -44.12 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.59 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -60.72 -48.96 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.78 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.6 85.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.579 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.0 98.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 110.148 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -45.17 91.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.625 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.74 -41.6 97.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.81 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.5 -46.02 91.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.436 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.05 -43.4 98.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.447 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.534 ' O ' HD13 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -61.68 -52.4 64.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -178.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 80.8 mtp -67.66 -36.71 81.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.042 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 179.618 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 120.941 0.4 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -53.9 -50.12 67.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.186 0.517 . . . . 0.0 109.958 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -44.94 -58.97 2.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.261 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -44.41 -59.42 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 9' ' ' ILE . 9.7 pt -58.22 -49.99 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.728 -178.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.407 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -57.63 -33.4 68.22 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -63.93 -45.5 88.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.091 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.53 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -61.93 -42.5 99.17 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.14 -179.426 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' C ' ' CD ' ' A' ' 13' ' ' LYS . 3.0 tmtt? -60.55 -46.98 88.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.255 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -55.63 -56.62 18.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.329 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.27 -46.46 76.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.935 0.397 . . . . 0.0 110.43 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.85 -50.4 72.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.992 178.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.3 t -58.34 -36.62 73.7 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.35 -43.19 95.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.373 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.8 m-85 -69.01 -50.58 47.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.783 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 36.4 t0 -60.83 82.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.63 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.1 mmmt -66.55 -54.01 28.44 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.532 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 21.4 p-10 -60.84 -18.83 58.07 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -178.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 65.54 42.7 95.52 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.233 178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.443 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 33.7 p-10 -99.65 2.16 44.2 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.847 0.323 . . . . 0.0 111.179 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 91.49 11.55 60.7 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.443 ' HG1' ' CG ' ' A' ' 24' ' ' ASP . 0.8 OUTLIER -144.25 158.52 43.69 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -110.42 134.58 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.595 HG22 ' N ' ' A' ' 29' ' ' THR . 95.2 m -113.35 164.71 13.23 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.189 0.518 . . . . 0.0 111.501 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.595 ' N ' HG22 ' A' ' 28' ' ' THR . 31.7 p -57.05 -45.84 82.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.43 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' H ' HG22 ' A' ' 28' ' ' THR . 51.0 mtpt -68.81 -43.64 75.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.77 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.428 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 85.1 mt-10 -53.91 -54.89 32.4 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.16 -46.58 89.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.639 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.54 -44.88 37.59 Favored Glycine 0 CA--C 1.518 0.225 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.0 m -59.51 -46.96 87.33 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.38 -41.97 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-O 120.818 0.342 . . . . 0.0 110.719 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.479 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 60.0 mmm -66.63 -39.71 88.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.508 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -74.3 -52.58 11.85 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.6 m -50.52 -25.92 4.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.774 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 mt -88.0 -18.03 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.26 14.19 31.28 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HG3' ' H ' ' A' ' 42' ' ' ASN . 21.1 tp60 -92.79 174.97 6.98 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.893 0.378 . . . . 0.0 110.794 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.451 ' H ' ' HG3' ' A' ' 41' ' ' GLN . 6.2 p30 -36.68 104.0 0.26 Allowed Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.364 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.68 -16.86 23.61 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.355 2.037 . . . . 0.0 112.09 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.424 ' OG1' ' OE1' ' A' ' 47' ' ' GLU . 63.1 p -51.8 105.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.672 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 48' ' ' LEU . 68.2 tt0 -72.58 -55.76 6.4 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.397 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -38.44 -36.98 0.27 Allowed 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.465 0.65 . . . . 0.0 109.438 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' OE1' ' OG1' ' A' ' 44' ' ' THR . 85.1 tt0 -60.25 -53.06 62.14 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.481 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' A' ' 45' ' ' GLU . 7.3 mp -59.88 -51.97 67.44 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -46.79 -26.22 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.421 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -79.4 -41.13 28.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.256 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.482 ' O ' HG22 ' A' ' 55' ' ' VAL . 64.4 mtt -61.37 -48.41 81.37 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.694 0.283 . . . . 0.0 110.836 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.411 HD12 HG22 ' A' ' 29' ' ' THR . 2.9 mt -66.13 -43.91 91.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.473 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 95.1 m-20 -65.36 -27.24 68.43 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.892 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -79.99 -48.88 12.65 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.268 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 51' ' ' MET . 30.5 m -71.11 -26.26 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.473 ' OD1' ' O ' ' A' ' 53' ' ' ASN . 51.9 p-10 -86.84 74.21 9.82 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.924 0.392 . . . . 0.0 110.927 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.79 -45.62 20.59 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.767 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.58 -4.77 28.88 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.14 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.45 78.9 1.01 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 30.3 p30 -114.61 -22.67 9.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.446 -0.377 . . . . 0.0 111.344 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.649 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 41.59 102.41 0.01 OUTLIER Glycine 0 C--N 1.344 1.014 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.649 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 23.3 p 96.91 166.06 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 124.49 0.759 . . . . 0.0 110.803 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.4 mm -109.69 119.18 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.009 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -86.38 177.21 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.181 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.552 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -54.18 -52.8 65.54 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.31 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 21.2 Cg_endo -60.34 -54.23 2.32 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.34 2.027 . . . . 0.0 113.597 -177.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -50.78 -50.09 56.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -60.49 -48.09 83.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.426 0.632 . . . . 0.0 110.627 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.53 HD12 ' CD2' ' A' ' 12' ' ' PHE . 3.1 tt -56.87 -25.57 56.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.589 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.6 m . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.49 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.42 96.61 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.63 -40.87 97.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.246 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.3 t -60.09 -45.13 93.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.228 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -63.79 -45.78 88.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.564 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.99 -42.78 94.23 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.41 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.64 91.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.173 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.479 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -62.94 -39.86 95.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 110.7 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -44.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.395 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.27 -49.09 77.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.79 91.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.696 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.37 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.981 0.42 . . . . 0.0 110.018 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -62.63 -44.29 96.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.728 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.2 -42.22 99.29 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.51 89.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.523 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.66 -43.08 97.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.384 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.21 -44.65 96.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 93.8 mtp -67.86 -37.56 82.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.031 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 179.345 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.415 ' OG1' ' N ' ' A' ' 6' ' ' GLU . 3.8 t . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.415 ' N ' ' OG1' ' A' ' 5' ' ' THR . 79.1 tt0 -62.51 -44.21 96.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.083 0.468 . . . . 0.0 110.311 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.25 -61.0 1.97 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.232 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -46.95 -61.4 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.8 pt -54.73 -49.28 69.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 119.596 -0.842 . . . . 0.0 110.606 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.8 84.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.051 0.453 . . . . 0.0 110.261 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -57.02 -49.54 75.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.111 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.572 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -61.63 -46.19 90.87 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.013 -179.703 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -56.72 -43.76 80.93 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 123.401 0.438 . . . . 0.0 110.696 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.28 -56.79 9.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.531 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -57.79 -39.71 78.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.914 0.387 . . . . 0.0 110.386 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.66 -53.59 55.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.8 t -67.34 -21.88 65.62 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.411 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.8 mt -74.18 -43.9 55.48 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 21' ' ' LYS . 35.7 m-85 -71.89 -58.54 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.639 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.0 t0 -52.66 84.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.439 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.9 mmtp -60.41 -53.5 56.84 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.451 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 55.3 p30 -64.96 -15.97 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.127 0.489 . . . . 0.0 109.893 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 57.35 42.49 93.68 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.438 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -82.64 -14.68 54.29 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.988 0.394 . . . . 0.0 111.111 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.23 -12.54 14.19 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 p -127.18 159.21 34.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.735 0.303 . . . . 0.0 110.209 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.08 138.55 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.671 HG22 ' N ' ' A' ' 29' ' ' THR . 46.6 m -123.33 173.57 7.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.176 0.512 . . . . 0.0 111.41 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.671 ' N ' HG22 ' A' ' 28' ' ' THR . 77.3 p -66.47 -39.02 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.446 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.19 -42.64 65.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.912 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -59.08 -58.25 9.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.056 0.455 . . . . 0.0 109.835 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.349 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.75 -38.76 54.06 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -60.88 -50.37 73.69 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.1 t -62.54 -41.37 91.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-O 121.088 0.471 . . . . 0.0 111.033 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.507 ' SD ' HD21 ' A' ' 48' ' ' LEU . 51.6 mtp -67.78 -45.45 74.78 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.613 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -66.3 -50.73 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -56.45 -22.41 31.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.7 mt -87.37 -17.82 31.46 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.09 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.91 5.31 47.56 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -75.5 157.52 33.88 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.57 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -34.48 96.51 0.1 Allowed Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.472 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.564 ' O ' ' N ' ' A' ' 45' ' ' GLU . 31.8 Cg_exo -56.0 -8.75 2.53 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.401 2.067 . . . . 0.0 111.87 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 46' ' ' ALA . 24.0 p -48.39 83.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.283 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' PRO . 17.5 pt-20 -57.22 -7.68 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.332 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 44' ' ' THR . . . -81.36 -38.99 25.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.284 178.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -58.51 -44.41 89.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.73 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.3 mp -66.08 -54.1 29.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.752 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 76.7 mt-30 -47.36 -37.72 11.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.541 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.8 -43.27 55.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.341 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.0 mmt -64.43 -45.66 86.56 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.917 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.435 HG23 HD11 ' A' ' 63' ' ' ILE . 7.9 mt -66.3 -41.97 89.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 49' ' ' GLN . 77.0 m-20 -56.27 -39.24 72.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -78.56 -44.96 22.92 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.782 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.8 -43.89 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.784 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.582 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 36.3 t0 -45.59 122.21 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.717 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.29 -33.9 20.5 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.101 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -86.87 -7.94 57.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.589 0.233 . . . . 0.0 111.39 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.72 24.81 71.46 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.582 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 45.7 p-10 -84.6 -21.36 30.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.62 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.72 -5.57 54.2 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.9 p -127.69 163.6 23.94 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.667 0.27 . . . . 0.0 110.752 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.435 HD11 HG23 ' A' ' 52' ' ' ILE . 18.2 mm -107.02 116.81 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.324 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.44 179.62 1.6 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.026 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.669 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -73.25 -52.92 5.06 Favored Pre-proline 0 C--O 1.245 0.816 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.14 -179.249 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 37.9 Cg_endo -65.53 -33.37 46.38 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.791 1.661 . . . . 0.0 112.593 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -60.74 -53.65 54.78 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.601 -0.44 . . . . 0.0 112.008 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -58.6 -53.62 56.26 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 121.629 0.728 . . . . 0.0 110.157 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.572 HD12 ' CD2' ' A' ' 12' ' ' PHE . 4.3 tt -63.37 -41.66 98.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.626 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 2.0 m . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.75 91.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.772 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.89 -42.71 99.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.259 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -59.56 -45.13 92.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.228 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -65.88 -44.11 86.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.637 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -64.44 -41.37 96.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.024 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.89 96.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.187 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.35 -41.88 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.48 -43.73 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -59.5 -48.77 80.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.766 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.04 87.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.677 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.11 95.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.045 0.45 . . . . 0.0 110.112 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -63.78 -44.92 91.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.37 -40.2 96.61 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.9 92.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.46 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -63.2 -47.11 83.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.84 -43.31 88.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.5 mmm -68.35 -37.25 80.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.036 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.898 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.758 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 8' ' ' GLN . 7.2 t . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.821 0.343 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.423 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 43.2 tt0 -52.61 -51.41 60.06 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 121.577 0.704 . . . . 0.0 110.131 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 7' ' ' GLU . 1.4 mm-40 -45.73 -58.14 3.71 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.412 ' H ' HG23 ' A' ' 5' ' ' THR . 1.8 tp-100 -42.65 -54.76 3.86 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -176.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.0 pt -60.76 -48.28 89.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.695 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.48 84.78 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -55.55 -42.09 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.191 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.77 -44.29 96.57 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -62.23 -45.62 92.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.32 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -54.03 -51.98 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.482 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.94 -44.16 86.78 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.154 0.502 . . . . 0.0 110.371 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -50.05 75.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.829 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.4 t -57.28 -36.01 70.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.304 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.22 -44.53 95.03 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.394 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 56.1 m-85 -73.88 -39.41 63.94 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.608 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 65.3 t0 -66.69 62.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.07 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.3 mmmt -55.92 -45.93 78.6 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.17 -16.79 35.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 55.49 35.72 62.22 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.895 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -98.5 -11.28 22.44 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.966 0.383 . . . . 0.0 111.364 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.12 7.44 30.82 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.71 151.47 40.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -107.34 128.77 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.568 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 5.3 t -115.81 173.32 6.62 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.061 0.457 . . . . 0.0 110.995 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -55.58 -41.77 73.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.805 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.449 ' H ' HG23 ' A' ' 28' ' ' THR . 59.5 mttp -67.32 -42.19 84.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.768 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' THR . 14.8 mt-10 -57.85 -64.71 0.81 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.933 0.397 . . . . 0.0 110.092 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.97 -49.0 76.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.699 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.75 -45.64 24.57 Favored Glycine 0 CA--C 1.519 0.3 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.7 m -60.22 -48.92 79.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.63 -40.25 85.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.1 mmm -65.25 -41.01 94.74 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.303 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -75.62 -49.37 18.68 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.88 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.4 m -50.48 -20.11 1.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.56 -9.98 59.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.184 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.55 30.93 23.07 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.254 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -94.49 136.69 34.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.98 0.419 . . . . 0.0 110.686 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.438 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.9 p30 -46.93 155.59 0.61 Allowed Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.283 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -46.97 123.89 8.0 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.098 1.866 . . . . 0.0 112.212 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -167.13 16.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.12 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -70.57 -14.82 62.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.346 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.2 -43.43 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.241 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -55.7 -45.99 77.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.483 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -63.6 -47.07 82.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.745 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -48.54 -47.07 39.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.747 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -70.23 -36.5 74.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.209 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.523 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 14.3 mmt -67.94 -43.3 79.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.123 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.2 mt -62.53 -43.41 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -64.3 -35.51 81.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -73.74 -55.28 6.44 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.867 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 51' ' ' MET . 14.3 m -63.88 -20.02 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.628 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 19.8 t70 -53.04 135.95 36.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 110.467 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.18 -45.1 70.82 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.431 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -101.02 9.32 42.34 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 111.552 0.205 . . . . 0.0 111.552 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 61.93 20.43 60.01 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.421 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 19.7 t-20 -91.08 -18.6 24.29 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.588 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.727 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 90.72 154.79 30.73 Favored Glycine 0 C--O 1.221 -0.697 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.727 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 38.3 p 100.38 140.85 0.01 OUTLIER 'General case' 0 C--N 1.349 0.573 0 O-C-N 124.726 0.897 . . . . 0.0 110.971 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.8 mm -111.93 134.9 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -99.55 173.83 6.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.993 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -53.63 -53.46 56.93 Favored Pre-proline 0 CA--C 1.545 0.768 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.391 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 29.1 Cg_endo -62.78 -51.13 3.29 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.205 1.936 . . . . 0.0 112.942 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -59.38 -38.89 81.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.405 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 19.6 t80 -58.62 -47.99 82.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.546 0.689 . . . . 0.0 109.958 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.29 -48.52 81.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.323 -0.554 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.661 -178.47 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.523 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.38 99.35 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.012 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.51 -41.16 98.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.248 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 66.6 m -58.98 -45.12 91.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.426 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -64.37 -45.41 87.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.462 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.35 -40.4 95.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.365 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.29 93.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.611 0.243 . . . . 0.0 111.082 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.32 94.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.29 -43.61 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.98 -47.39 86.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.783 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.16 82.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.79 96.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 0.0 110.044 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -65.03 -41.04 95.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.892 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.01 -44.25 93.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.951 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.38 -41.21 93.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.432 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.47 -45.27 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.608 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.3 -45.35 93.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 3.5 tpt -67.77 -37.77 82.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.821 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 179.814 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -63.19 -40.49 97.66 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.543 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -82.78 134.47 35.12 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.619 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.3 tp -74.34 159.33 32.54 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.802 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 t -173.0 173.28 3.75 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.25 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.5 tp10 -50.76 -55.12 18.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.026 0.441 . . . . 0.0 110.099 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' OE2' ' OE1' ' A' ' 11' ' ' GLU . 47.3 tp10 -44.5 -56.51 4.24 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -45.53 -59.61 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 pt -57.24 -49.0 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.402 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.43 -36.48 73.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.06 0.457 . . . . 0.0 109.811 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' OE1' ' OE2' ' A' ' 7' ' ' GLU . 27.8 tp10 -62.35 -45.39 93.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.963 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.518 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.05 -44.24 97.11 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.418 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' C ' ' CD ' ' A' ' 13' ' ' LYS . 4.7 tmtt? -61.66 -46.9 87.75 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.171 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -56.89 -55.72 30.82 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.524 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.424 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -56.2 -44.26 79.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.998 0.428 . . . . 0.0 110.42 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -50.76 72.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.834 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.0 t -57.05 -36.0 69.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.949 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.83 -43.37 88.77 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.464 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' LYS . 60.5 m-85 -68.96 -50.36 49.83 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.719 -179.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 39.2 t0 -60.12 78.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.69 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.4 mmmt -64.34 -53.25 51.67 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.4 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 52.0 p-10 -61.75 -17.15 54.83 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.647 -0.421 . . . . 0.0 109.954 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 62.62 41.59 99.79 Favored Glycine 0 CA--C 1.525 0.7 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.946 178.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -92.7 -5.15 51.95 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 117.044 0.422 . . . . 0.0 110.946 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.47 ' O ' ' CE2' ' A' ' 65' ' ' PHE . . . 100.52 0.98 55.48 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -139.92 160.73 39.26 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.9 mt -107.66 142.01 21.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.16 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.599 HG22 ' N ' ' A' ' 29' ' ' THR . 97.6 m -125.29 163.95 21.42 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.148 0.499 . . . . 0.0 110.941 -179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.599 ' N ' HG22 ' A' ' 28' ' ' THR . 37.6 p -55.37 -45.29 76.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.554 -179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -66.27 -42.12 88.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.823 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -58.01 -58.74 7.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.0 0.429 . . . . 0.0 110.088 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.436 HD22 ' CH2' ' B' ' 52' ' ' TRP . 47.5 tp -62.32 -48.19 80.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.34 -44.75 28.14 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.9 m -60.65 -47.23 87.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.4 t -60.35 -41.2 86.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 CA-C-O 120.859 0.361 . . . . 0.0 110.705 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.6 mtp -64.95 -38.73 91.92 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.24 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -73.37 -50.66 20.76 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.045 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.3 t -53.31 -32.32 48.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.891 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.3 mt -74.34 -17.82 60.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.298 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.31 18.07 53.9 Favored Glycine 0 N--CA 1.463 0.443 0 N-CA-C 111.748 -0.541 . . . . 0.0 111.748 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -101.69 173.04 6.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.695 0.283 . . . . 0.0 111.019 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -36.22 101.1 0.21 Allowed Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.292 -178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' O ' ' N ' ' A' ' 45' ' ' GLU . 57.6 Cg_endo -77.63 18.02 0.88 Allowed 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.328 2.018 . . . . 0.0 112.178 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 t -60.46 71.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.366 0.603 . . . . 0.0 111.01 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 43' ' ' PRO . 67.4 tt0 -62.11 -11.72 15.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.496 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.09 -42.99 30.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.697 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -58.98 -45.2 91.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.644 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -63.84 -52.63 59.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.998 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -47.4 -38.43 13.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.503 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -75.18 -41.1 58.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.2 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.568 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 17.6 mmt -66.8 -44.32 81.58 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.14 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.465 HD12 HG22 ' A' ' 29' ' ' THR . 36.8 mt -63.42 -43.06 98.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -53.57 -19.55 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.758 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -92.84 -60.44 1.81 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.601 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.7 m -63.54 -21.69 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 56' ' ' ASP . 40.2 p-10 -51.39 109.53 0.35 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.906 0.384 . . . . 0.0 110.665 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -50.65 64.1 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.116 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -81.7 -18.71 43.44 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.617 0.246 . . . . 0.0 111.412 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.16 19.73 68.92 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 109.91 -1.276 . . . . 0.0 109.91 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -81.1 -9.85 59.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.39 -0.405 . . . . 0.0 110.366 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.05 19.62 58.92 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.7 p -132.82 156.67 46.71 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.78 0.324 . . . . 0.0 110.714 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.42 HD11 HG23 ' A' ' 52' ' ' ILE . 27.2 mm -106.98 122.34 60.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.297 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -82.0 171.01 14.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.302 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.511 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -52.79 -52.74 61.77 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.31 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 20.6 Cg_endo -58.25 -48.58 15.22 Favored 'Trans proline' 0 N--CA 1.5 1.895 0 C-N-CA 122.111 1.874 . . . . 0.0 113.494 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -53.51 -51.87 61.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.218 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.31 -47.78 82.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.241 0.544 . . . . 0.0 110.399 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD12 ' CD2' ' A' ' 12' ' ' PHE . 3.4 tt -59.11 -27.15 65.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.668 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -86.23 -66.39 0.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.911 0.338 . . . . 0.0 111.911 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.4 ptp -48.63 -19.01 0.3 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.962 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -87.36 -25.18 23.98 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.93 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.94 7.17 43.35 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.858 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -57.78 -60.3 3.91 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.941 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -131.72 -143.67 0.24 Allowed 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' A' ' 76' ' ' MET . 0.0 OUTLIER 68.09 68.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.169 0.509 . . . . 0.0 109.98 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 76' ' ' MET . 17.7 mmtp . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.058 -0.973 . . . . 0.0 110.623 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.5 p -81.42 166.71 20.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.871 0.367 . . . . 0.0 110.501 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.53 -24.12 0.75 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.568 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -63.08 -47.17 84.06 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.49 93.04 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 110.963 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.77 -43.32 99.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.385 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' B' ' 48' ' ' ALA . 79.3 p -61.77 -42.76 99.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.209 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . 0.436 ' CH2' HD22 ' A' ' 32' ' ' LEU . 13.0 m95 -64.26 -47.78 78.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -66.88 -40.33 87.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.475 -179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.39 98.52 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.115 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.9 -41.19 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.732 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.04 -43.86 97.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.649 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -62.61 -45.64 91.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.461 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.65 -38.15 80.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 110.502 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.46 -48.66 80.79 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.195 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 -65.35 -36.55 84.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.583 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -55.9 -45.68 78.59 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.2 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.157 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -61.26 -46.88 88.55 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.698 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.28 -42.84 99.14 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.794 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.6 mmm -67.73 -37.33 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.92 21.54 61.13 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 121.177 -0.535 . . . . 0.0 111.858 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 26.4 p -74.48 161.38 29.83 Favored 'General case' 0 C--N 1.331 -0.224 0 O-C-N 122.617 -0.343 . . . . 0.0 110.684 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.698 179.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 43.86 -101.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.711 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.473 ' O ' ' O ' ' A' ' 4' ' ' LEU . 5.4 mm-40 -156.34 98.41 1.84 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 3' ' ' GLN . 1.5 tp 42.56 -171.6 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.538 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 4' ' ' LEU . 4.7 m -168.73 165.8 11.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.283 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' N ' HG22 ' A' ' 5' ' ' THR . 83.9 tt0 -54.69 -52.47 62.28 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 121.291 0.567 . . . . 0.0 110.406 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.443 ' HG3' ' H ' ' A' ' 8' ' ' GLN . 4.9 pt-20 -45.01 -55.28 5.69 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.585 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 87.9 mm-40 -45.79 -59.01 3.03 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -177.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 ' H ' ' A' ' 9' ' ' ILE . 9.6 pt -56.69 -47.71 82.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.499 -178.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.99 89.89 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.958 0.409 . . . . 0.0 110.127 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -57.0 -45.15 83.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.51 -44.14 97.11 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.05 -43.52 95.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.448 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.72 -55.09 33.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.3 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.66 -42.12 74.61 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.028 0.442 . . . . 0.0 110.377 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -50.03 74.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.612 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.9 t -57.29 -34.28 68.52 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.088 -179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -67.71 -42.63 81.66 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.528 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.6 m-85 -72.22 -52.98 13.94 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.892 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 39.7 t0 -56.22 85.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.672 -179.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -65.94 -54.22 29.1 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.573 -179.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.476 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 31.3 p-10 -63.52 -17.03 62.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.57 42.22 99.72 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.009 179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 24.4 p-10 -93.08 -0.76 56.99 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 117.199 0.5 . . . . 0.0 111.128 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.56 4.98 56.99 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.494 -0.643 . . . . 0.0 111.494 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 1.7 p -142.34 163.91 31.57 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -112.78 136.78 47.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.603 HG22 ' N ' ' A' ' 29' ' ' THR . 62.8 m -114.0 166.2 11.85 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.87 -179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.603 ' N ' HG22 ' A' ' 28' ' ' THR . 43.9 p -61.61 -44.3 97.24 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.473 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -67.37 -41.49 84.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.525 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -56.12 -57.47 12.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.832 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.75 -47.32 85.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.825 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.65 -44.12 29.61 Favored Glycine 0 CA--C 1.517 0.209 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.7 m -61.52 -46.4 90.1 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.5 t -62.44 -38.38 81.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.921 0.391 . . . . 0.0 110.489 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.479 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 58.6 mmm -66.71 -47.5 72.15 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.367 179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -67.8 -48.57 65.93 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.915 0.388 . . . . 0.0 110.504 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.1 m -54.16 -22.74 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.568 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.8 mt -93.35 -16.69 24.38 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.976 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.22 5.65 57.07 Favored Glycine 0 N--CA 1.467 0.706 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -75.02 152.37 38.7 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.802 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.463 ' O ' ' O ' ' A' ' 43' ' ' PRO . 8.2 t-20 -35.29 98.98 0.16 Allowed Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.369 -179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.463 ' O ' ' O ' ' A' ' 42' ' ' ASN . 36.0 Cg_exo -55.1 -143.18 0.0 OUTLIER 'Trans proline' 0 N--CA 1.501 1.935 0 C-N-CA 122.675 2.25 . . . . 0.0 112.308 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m 71.58 113.56 0.06 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.67 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' ALA . 11.0 pt-20 -82.04 -45.77 14.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.255 179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -39.47 -41.85 1.03 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -178.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -58.59 -59.47 5.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.668 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.508 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.2 mm? -60.33 -51.27 70.25 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.798 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -47.39 -29.48 2.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.341 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -80.33 -41.6 24.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.431 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.529 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 25.0 mmt -67.63 -44.19 78.57 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.592 HG22 ' OD2' ' A' ' 56' ' ' ASP . 34.7 mt -64.71 -43.42 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.876 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -53.06 -30.51 36.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.761 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -73.98 -53.88 9.11 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.455 ' H ' HG22 ' A' ' 55' ' ' VAL . 5.0 m -69.92 -25.01 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.592 ' OD2' HG22 ' A' ' 52' ' ' ILE . 75.9 m-20 -50.38 116.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.03 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.56 -43.5 72.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.82 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 42.6 p30 -99.97 -0.09 40.05 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.674 0.273 . . . . 0.0 111.262 -179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.16 23.93 74.68 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.109 -1.196 . . . . 0.0 110.109 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -72.02 -22.93 61.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.227 0.536 . . . . 0.0 110.439 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.19 16.9 42.09 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.5 p -136.24 158.39 44.53 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.682 0.277 . . . . 0.0 110.889 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.519 HD11 HG23 ' A' ' 52' ' ' ILE . 24.9 mm -103.98 120.6 54.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.044 179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -82.49 176.02 9.74 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.353 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.459 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.3 m-85 -50.88 -65.74 0.84 Allowed Pre-proline 0 CA--C 1.545 0.784 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.082 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.9 Cg_endo -57.25 -45.38 35.49 Favored 'Trans proline' 0 N--CA 1.499 1.845 0 C-N-CA 122.527 2.151 . . . . 0.0 113.322 -178.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -48.37 -54.9 12.26 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -61.23 -47.07 87.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.09 0.471 . . . . 0.0 110.7 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 12' ' ' PHE . 3.0 tt -58.62 -27.46 64.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.742 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.7 m -87.2 -62.1 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.5 ptp -52.15 -18.55 1.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.775 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.7 ptm -87.71 -28.38 21.82 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.229 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.59 20.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.479 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -106.86 3.35 26.22 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 120.931 0.396 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -56.16 -44.97 79.82 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.563 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 67.3 mtt -86.18 -166.84 1.66 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.692 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 mptt . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.089 179.44 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.439 0 N-CA-C 109.526 -1.429 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 45.9 p -66.09 -33.26 75.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.798 0.332 . . . . 0.0 110.32 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.55 -50.61 4.26 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.529 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -60.62 -50.33 73.95 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.6 99.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.943 0.402 . . . . 0.0 110.909 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.563 HD13 ' O ' ' B' ' 50' ' ' LEU . 0.2 OUTLIER -63.33 -41.93 98.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.781 -179.638 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.6 t -57.32 -45.74 83.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.007 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -69.5 -45.41 68.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.954 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -61.82 -47.66 84.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.433 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.92 93.76 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.159 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.479 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -63.93 -45.79 87.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.956 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.39 -44.67 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.563 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.16 -45.62 87.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.89 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.65 78.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.693 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.32 -49.63 77.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.174 0.511 . . . . 0.0 110.001 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -65.14 -40.95 95.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.663 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -52.72 -42.89 65.28 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.12 83.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.168 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -61.85 -47.42 85.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.503 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 49.5 tp -62.77 -46.38 88.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.982 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 4.1 mmt -69.1 -36.89 78.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.077 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.83 17.58 61.33 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 11.7 t -60.54 -43.5 97.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.026 0.441 . . . . 0.0 110.098 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.794 179.859 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -90.05 107.44 19.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.331 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -137.32 153.85 50.18 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.255 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.482 ' HG ' ' H ' ' A' ' 5' ' ' THR . 1.6 tp -70.02 174.82 4.95 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.482 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 5.1 t -173.64 172.64 3.55 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.603 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 77.8 tt0 -53.98 -55.2 29.36 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 121.56 0.695 . . . . 0.0 110.211 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.519 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -43.75 -57.94 2.96 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.545 179.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.71 HE22 ' NZ ' ' A' ' 75' ' ' LYS . 31.8 tp60 -43.65 -61.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.43 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.6 pt -53.14 -49.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.023 -178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -60.37 -40.28 90.26 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.126 0.489 . . . . 0.0 109.928 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -56.87 -47.92 79.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.132 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.79 -39.91 94.37 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.375 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -57.15 -43.09 82.15 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-O 120.918 0.389 . . . . 0.0 110.189 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.41 -56.94 10.92 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.097 0.475 . . . . 0.0 109.882 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -54.62 -37.82 66.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.027 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -52.13 67.07 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.343 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.4 m -57.01 -30.2 63.99 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.629 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.6 mt -72.37 -44.64 62.26 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.894 -0.323 . . . . 0.0 111.807 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 52.0 m-85 -68.89 -55.1 12.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.658 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.486 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 31.8 t0 -55.66 85.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.503 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 19' ' ' PHE . 30.5 mmtt -64.11 -57.75 8.68 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.247 -0.581 . . . . 0.0 110.733 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 9.1 p30 -61.1 -18.02 55.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.962 -179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 64.29 44.58 95.28 Favored Glycine 0 CA--C 1.522 0.521 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.822 178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 24.3 p-10 -92.75 -5.05 52.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.898 0.349 . . . . 0.0 111.122 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.486 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 100.03 5.65 54.64 Favored Glycine 0 N--CA 1.466 0.674 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.408 ' HG1' ' CG ' ' A' ' 24' ' ' ASP . 1.6 p -138.43 172.19 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.222 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.4 mt -127.47 150.19 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.659 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.448 ' H ' ' HB2' ' A' ' 31' ' ' GLU . 6.1 t -143.48 178.4 7.79 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.005 0.431 . . . . 0.0 111.089 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.461 HG22 HD12 ' A' ' 52' ' ' ILE . 52.4 p -58.05 -44.1 87.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.968 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.428 ' H ' HG23 ' A' ' 28' ' ' THR . 59.7 mttp -65.15 -44.71 87.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.022 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' HB2' ' H ' ' A' ' 28' ' ' THR . 26.4 mt-10 -60.52 -62.28 1.98 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.966 0.413 . . . . 0.0 110.013 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.99 -48.45 81.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.821 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.79 -43.93 30.43 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.3 m -59.69 -50.53 73.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.7 t -59.22 -42.75 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 120.587 0.232 . . . . 0.0 111.02 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 39.2 mtp -66.65 -41.1 88.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.82 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -68.77 -53.02 24.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.551 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.1 m -48.99 -31.71 7.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.745 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.0 mt -74.57 -16.8 60.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.86 21.18 10.48 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 112.146 -0.382 . . . . 0.0 112.146 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -80.15 117.74 21.22 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.073 0.463 . . . . 0.0 110.89 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.465 ' O ' HG23 ' A' ' 44' ' ' THR . 5.8 m120 -37.91 152.8 0.14 Allowed Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.541 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -41.72 104.02 0.05 OUTLIER 'Trans proline' 0 N--CA 1.487 1.137 0 C-N-CA 122.263 1.975 . . . . 0.0 111.661 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 42' ' ' ASN . 14.2 p -131.24 5.32 4.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.712 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -46.79 -24.75 0.62 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.402 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.95 -42.66 38.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.071 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -54.77 -46.19 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.487 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 48' ' ' LEU . 7.5 mp -59.8 -55.36 35.21 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.949 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -45.68 -42.44 11.61 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -76.7 -43.03 39.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.395 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.0 mmt -63.63 -48.32 77.75 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.101 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.461 HD12 HG22 ' A' ' 29' ' ' THR . 28.7 mt -63.55 -43.09 98.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 46.3 t-20 -50.79 -39.36 52.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.916 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -73.06 -51.84 16.57 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.694 0.283 . . . . 0.0 111.401 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 m -92.65 24.36 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.501 ' OD2' ' CA ' ' A' ' 59' ' ' GLY . 13.0 t70 -65.63 -32.72 74.44 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.088 0.47 . . . . 0.0 110.901 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.79 -65.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' ASP . 8.7 t0 -73.03 -29.26 62.86 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.707 0.289 . . . . 0.0 111.605 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.501 ' CA ' ' OD2' ' A' ' 56' ' ' ASP . . . 83.26 12.88 78.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.497 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 41.3 p30 -83.38 -16.78 44.62 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.876 0.37 . . . . 0.0 110.681 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.491 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 94.49 11.14 57.41 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.411 ' OG1' ' ND2' ' A' ' 60' ' ' ASN . 59.0 p -132.0 156.6 45.94 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.155 0.502 . . . . 0.0 111.176 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.434 HD11 HG23 ' A' ' 52' ' ' ILE . 26.0 mm -101.75 116.31 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.221 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -75.52 176.0 7.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.432 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.1 m-85 -51.28 -65.73 0.87 Allowed Pre-proline 0 C--O 1.239 0.552 0 CA-C-N 115.366 -0.834 . . . . 0.0 112.295 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.8 Cg_endo -57.27 -47.19 23.49 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.56 2.174 . . . . 0.0 113.038 -177.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -46.32 -52.18 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 30.2 t80 -61.91 -48.7 79.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.228 0.537 . . . . 0.0 110.387 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 tt -54.06 -27.11 30.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.476 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.7 m -85.37 -70.83 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.964 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.6 ptp -51.84 -17.46 0.96 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.391 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.478 ' C ' ' SD ' ' A' ' 72' ' ' MET . 2.9 ppp? -90.45 -31.31 16.86 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.892 0.377 . . . . 0.0 111.583 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.82 1.35 17.62 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.315 -178.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.64 -63.74 1.17 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.476 -179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.71 ' NZ ' HE22 ' A' ' 8' ' ' GLN . 62.1 mttp 57.75 -166.39 0.15 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.197 0.522 . . . . 0.0 111.274 179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 98.9 mmm -122.37 -80.76 0.63 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.404 0.621 . . . . 0.0 110.14 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.1 pttm . . . . . 0 C--N 1.322 -0.63 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.078 -179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.507 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 76.8 p 39.67 88.82 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.948 0.404 . . . . 0.0 110.567 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.86 -116.51 5.37 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . 34.66 -101.99 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.2 97.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.951 0.405 . . . . 0.0 111.184 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.9 -40.01 95.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.25 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.7 t -59.68 -48.09 83.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.481 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 47.5 m95 -72.22 -46.46 56.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.437 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -60.33 -49.22 78.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.417 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.53 91.48 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.763 0.316 . . . . 0.0 111.178 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.24 -43.9 96.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.957 0.408 . . . . 0.0 110.793 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.89 -43.85 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -61.03 -49.2 78.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.746 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.45 86.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.544 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.91 99.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.13 0.49 . . . . 0.0 109.985 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -66.29 -39.16 89.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.101 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -62.4 -41.66 98.84 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.07 -47.76 83.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.323 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -65.67 -35.69 81.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.539 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.05 -44.93 96.65 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.26 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 79.0 mtm -66.8 -36.58 82.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.978 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.53 5.47 61.65 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 7.7 m -70.2 146.17 50.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.913 0.357 . . . . 0.0 110.553 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.22 -179.847 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -84.64 13.56 5.55 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.146 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -137.58 -178.64 5.33 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.507 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 tp 37.33 78.83 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.21 0.528 . . . . 0.0 111.875 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 7' ' ' GLU . 11.5 t -77.8 -171.48 2.26 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.253 -178.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.491 ' HA ' HD11 ' A' ' 9' ' ' ILE . 80.5 tt0 -61.49 -45.31 94.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.2 0.524 . . . . 0.0 110.568 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.449 ' H ' HG23 ' A' ' 5' ' ' THR . 75.1 tt0 -45.66 -62.03 1.46 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.518 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.23 -58.66 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -177.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 6' ' ' GLU . 5.5 pt -56.92 -50.87 74.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.688 -178.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.13 77.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.176 0.512 . . . . 0.0 109.891 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -61.89 -45.67 92.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.085 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.414 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -64.55 -44.3 91.22 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.562 179.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -57.2 -44.51 83.74 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.393 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.82 -56.48 17.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -54.24 -47.31 72.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.284 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -55.94 -51.83 66.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.783 179.56 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.528 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 5.9 t -57.29 -36.14 70.69 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.1 mt -64.66 -42.74 95.2 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.445 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 21' ' ' LYS . 61.9 m-85 -69.76 -51.64 32.28 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.871 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 35.4 t0 -61.07 76.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.54 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.504 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.0 mmmt -60.36 -52.66 64.29 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.314 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 22.6 p-10 -63.42 -17.24 62.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.992 0.425 . . . . 0.0 109.895 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 61.43 43.42 99.36 Favored Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.827 178.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -91.64 -3.23 56.59 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 117.008 0.404 . . . . 0.0 110.971 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . . . 99.9 6.89 53.81 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -144.41 173.33 11.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -121.37 139.08 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.648 HG22 ' N ' ' A' ' 29' ' ' THR . 86.0 m -119.24 168.24 11.08 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.016 0.436 . . . . 0.0 111.075 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.648 ' N ' HG22 ' A' ' 28' ' ' THR . 69.1 p -60.36 -43.11 96.83 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.556 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -68.62 -41.87 78.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.762 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -57.85 -59.09 5.77 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 tp -62.63 -48.4 79.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.797 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.55 -43.74 36.7 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -61.37 -46.5 89.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 64.8 t -61.81 -37.77 78.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.013 0.435 . . . . 0.0 110.759 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 56.3 mtp -65.92 -50.57 63.97 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.163 -0.615 . . . . 0.0 111.434 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.8 ttt-85 -66.2 -47.82 72.64 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.182 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 81.2 p -51.12 -27.38 8.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.633 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.2 mt -82.01 -12.32 58.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.233 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.6 16.41 42.73 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.411 HE22 ' HA ' ' B' ' 55' ' ' ALA . 86.9 mt-30 -80.73 132.43 35.55 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 120.97 0.414 . . . . 0.0 110.939 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -38.62 155.77 0.12 Allowed Pre-proline 0 N--CA 1.467 0.411 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.234 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.56 117.26 4.06 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.506 2.138 . . . . 0.0 111.585 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.3 t -150.79 11.67 0.67 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.356 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -55.46 -20.21 11.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.217 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.23 -42.31 55.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.224 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -57.33 -48.85 77.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.012 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.3 mm? -60.29 -51.02 71.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.682 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -45.84 -40.93 10.51 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.418 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -71.6 -39.84 70.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.992 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.454 ' O ' HG23 ' A' ' 55' ' ' VAL . 22.4 mtm -68.66 -45.29 72.13 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.77 0.319 . . . . 0.0 111.225 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.529 HD12 HG22 ' A' ' 29' ' ' THR . 75.3 mt -62.27 -42.66 96.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.437 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 33.4 t-20 -50.41 -26.38 4.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.683 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -98.15 -38.94 9.12 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.53 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 51' ' ' MET . 90.9 t -62.45 -44.58 99.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.629 -178.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 10.2 t70 -47.91 129.18 14.32 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.856 0.36 . . . . 0.0 110.664 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.33 -42.06 60.06 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.026 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -95.67 1.63 53.63 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.459 0.171 . . . . 0.0 111.155 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.546 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 71.16 25.64 75.23 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -74.63 -22.18 59.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.966 0.412 . . . . 0.0 110.554 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.9 20.62 49.61 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.6 p -131.74 153.11 50.4 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.811 0.339 . . . . 0.0 110.792 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.403 HD11 HG23 ' A' ' 52' ' ' ILE . 26.4 mm -105.94 120.36 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.363 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -78.5 172.2 14.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.203 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.542 ' CZ ' ' O ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -54.43 -52.33 70.34 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.352 179.659 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 21.3 Cg_endo -59.37 -51.71 5.96 Favored 'Trans proline' 0 N--CA 1.503 2.03 0 C-N-CA 122.359 2.04 . . . . 0.0 113.352 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -48.79 -50.35 34.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.425 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 31.6 t80 -61.3 -49.33 77.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.185 0.516 . . . . 0.0 110.71 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD12 ' CD2' ' A' ' 12' ' ' PHE . 2.8 tt -53.6 -27.48 26.95 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.34 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.7 m -82.62 -70.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.711 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.593 ' SD ' ' NE1' ' B' ' 52' ' ' TRP . 6.7 ptp -50.88 -18.61 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.593 -178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 72' ' ' MET . 2.7 ppp? -90.61 -32.16 16.37 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.807 0.336 . . . . 0.0 111.668 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.551 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -60.3 -36.53 78.09 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.484 -178.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.422 ' HG2' ' H ' ' A' ' 74' ' ' ARG . 9.3 ptm180 -63.46 6.81 0.12 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.682 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.551 ' H ' ' C ' ' A' ' 73' ' ' ALA . 88.8 tttt -32.66 151.33 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.421 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.6 ptt? -48.46 138.9 9.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.72 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.9 mttp . . . . . 0 C--O 1.221 -0.405 0 CA-C-O 117.959 -1.02 . . . . 0.0 109.981 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 18.2 p -80.45 166.47 21.2 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.83 0.347 . . . . 0.0 110.376 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -135.99 72.29 0.46 Allowed Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.54 91.73 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.56 97.9 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.91 0.386 . . . . 0.0 111.041 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.11 -40.78 98.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.145 0.497 . . . . 0.0 110.124 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 66.2 m -60.71 -45.37 94.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.244 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . 0.593 ' NE1' ' SD ' ' A' ' 71' ' ' MET . 19.5 m95 -70.26 -51.01 33.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.566 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.85 -45.63 88.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.444 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.07 92.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.026 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.411 ' HA ' HE22 ' A' ' 41' ' ' GLN . . . -64.98 -42.01 94.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 95.0 mt -64.53 -43.58 96.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.67 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -60.74 -45.64 93.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.795 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.79 88.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.483 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.83 94.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.122 0.487 . . . . 0.0 109.989 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -63.25 -44.3 95.57 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.598 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -61.27 -39.95 92.28 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.94 -47.22 87.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.368 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -64.6 -40.78 96.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.309 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.634 HD23 ' O ' ' B' ' 64' ' ' LEU . 1.5 tt -62.32 -40.68 97.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.413 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 38.6 tpp -64.81 -24.18 67.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.876 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.53 15.23 57.27 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 25.4 p -73.45 162.5 29.21 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.655 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.599 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -126.76 98.76 5.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.805 -178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -153.6 158.08 40.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.514 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.411 ' O ' ' OG1' ' A' ' 5' ' ' THR . 1.2 tp 48.03 -170.93 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.562 HG22 ' N ' ' A' ' 6' ' ' GLU . 90.7 m -168.48 164.46 12.62 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.591 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.562 ' N ' HG22 ' A' ' 5' ' ' THR . 42.9 tp10 -50.81 -55.52 16.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.261 0.553 . . . . 0.0 110.484 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 8' ' ' GLN . 13.9 pt-20 -44.41 -55.93 4.63 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.996 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.508 ' N ' ' CG ' ' A' ' 7' ' ' GLU . 96.0 mm-40 -43.07 -58.18 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -177.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.6 pt -57.87 -47.96 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 119.509 -0.876 . . . . 0.0 110.476 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -55.88 -48.3 75.85 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.989 -0.444 . . . . 0.0 110.014 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -53.4 -43.36 67.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.32 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.557 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.58 -44.24 96.8 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 110.294 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -65.63 -37.88 87.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.449 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.11 -56.33 13.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.422 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.55 -44.29 72.76 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.088 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.626 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -57.1 -51.74 68.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.713 179.333 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.549 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 54.5 m -54.01 -34.82 60.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.393 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.507 HD13 ' HB1' ' B' ' 59' ' ' ALA . 97.0 mt -66.73 -42.89 85.55 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.788 0.328 . . . . 0.0 111.166 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.545 ' O ' ' N ' ' A' ' 21' ' ' LYS . 47.2 m-85 -73.92 -47.45 37.68 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.964 -179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 61.2 t0 -61.81 69.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.094 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.8 mmmt -56.18 -47.76 77.69 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.229 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.7 -18.37 59.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.11 38.56 61.35 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.782 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -92.74 -12.38 31.5 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 117.02 0.41 . . . . 0.0 111.234 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.64 1.26 23.03 Favored Glycine 0 N--CA 1.467 0.703 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.7 p -142.52 154.58 44.61 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.805 0.336 . . . . 0.0 110.308 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.2 mt -99.63 126.8 52.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.554 HG22 ' N ' ' A' ' 29' ' ' THR . 61.9 m -108.15 163.18 13.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.025 0.44 . . . . 0.0 111.068 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.554 ' N ' HG22 ' A' ' 28' ' ' THR . 9.9 p -58.0 -38.24 75.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.62 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -72.59 -35.58 67.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.587 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 28' ' ' THR . 49.8 mt-10 -63.8 -64.41 0.9 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.194 0.521 . . . . 0.0 110.447 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.941 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.19 -38.52 89.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.79 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.941 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -58.51 -42.4 95.91 Favored Glycine 0 C--N 1.329 0.167 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.9 m -60.23 -45.58 92.71 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.4 t -59.11 -34.86 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-O 120.927 0.394 . . . . 0.0 110.719 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.619 ' HG3' HD21 ' A' ' 48' ' ' LEU . 38.5 mmt -66.77 -41.05 88.35 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.228 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -48.98 52.6 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.61 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.6 m -52.2 -25.37 9.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.589 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.1 mt -81.32 -16.95 50.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.79 27.35 9.69 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' OE1' ' SD ' ' A' ' 36' ' ' MET . 88.3 mt-30 -89.96 123.15 33.63 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.09 0.472 . . . . 0.0 110.749 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.595 ' ND2' ' H ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER -37.34 154.79 0.1 OUTLIER Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.507 -178.755 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.39 132.91 41.5 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.921 1.747 . . . . 0.0 111.965 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.0 t -169.82 25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.338 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -58.4 -15.76 12.01 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.503 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.34 -40.66 26.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.341 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -61.57 -42.17 98.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.626 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.619 HD21 ' HG3' ' A' ' 36' ' ' MET . 5.5 mp -64.0 -53.04 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.985 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -49.39 -36.27 21.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.546 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -68.14 -43.97 77.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.21 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 55' ' ' VAL . 56.4 mtt -62.19 -50.4 71.95 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.91 -0.316 . . . . 0.0 111.048 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.2 mt -64.89 -42.86 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.382 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -50.68 -31.4 16.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.736 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -101.0 -41.31 6.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.406 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 51' ' ' MET . 73.1 t -65.56 -43.31 94.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 67.5 t0 -41.07 134.35 2.05 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.963 0.411 . . . . 0.0 110.83 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . -69.82 -44.95 68.94 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.299 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -97.31 3.97 51.01 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.534 0.207 . . . . 0.0 111.365 -179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.84 24.55 62.66 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 109.944 -1.262 . . . . 0.0 109.944 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.529 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 8.3 m120 -73.3 -22.02 60.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.409 . . . . 0.0 110.452 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.71 -0.19 30.55 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.8 p -132.96 167.76 19.68 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.049 0.452 . . . . 0.0 110.632 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.8 mt -111.7 134.92 52.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.221 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -87.38 174.5 8.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.734 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.626 ' CZ ' ' CZ ' ' A' ' 16' ' ' PHE . 4.4 m-85 -54.68 -66.19 1.04 Allowed Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.039 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.48 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 18.9 Cg_endo -56.23 -46.23 32.17 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.555 2.17 . . . . 0.0 113.017 -177.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -48.09 -50.33 28.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.555 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -61.14 -47.48 86.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.177 0.513 . . . . 0.0 110.282 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD12 ' CD2' ' A' ' 12' ' ' PHE . 1.2 tt -54.0 -27.63 32.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.658 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.3 m -86.16 -69.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.06 0.457 . . . . 0.0 111.975 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 ptp -47.11 -17.13 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.71 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -88.94 -26.71 21.39 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.358 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.89 22.83 0.73 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.46 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -92.0 4.93 51.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.03 0.443 . . . . 0.0 110.504 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -138.93 144.61 39.13 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.584 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 95.5 mtp -115.03 -31.16 6.14 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.957 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.78 -1.105 . . . . 0.0 110.29 179.86 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 43.3 p -135.24 155.5 50.55 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.037 0.446 . . . . 0.0 110.222 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' B' ' 50' ' ' LEU . . . 55.14 -148.25 25.0 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . 31.37 -104.54 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.96 90.15 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.896 0.379 . . . . 0.0 111.26 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' B' ' 47' ' ' GLY . 55.5 tp -62.91 -41.93 99.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.229 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.6 t -60.58 -45.71 92.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.339 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -68.48 -43.04 77.8 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.616 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -60.92 -50.12 74.7 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.35 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.77 85.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.694 0.283 . . . . 0.0 110.976 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.17 -45.84 91.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.983 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.28 -43.71 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.392 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.46 -45.71 93.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.75 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.79 -40.39 79.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.679 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . 0.507 ' HB1' HD13 ' A' ' 18' ' ' LEU . . . -63.77 -40.37 96.52 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.161 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.64 -42.25 98.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.861 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -64.87 -40.44 95.14 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.68 -46.42 85.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.583 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.69 -46.93 85.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.424 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 53.0 tp -63.06 -43.54 98.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.033 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 58.8 mmm -66.12 -38.2 87.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.899 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.29 2.46 87.49 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.801 -0.52 . . . . 0.0 111.801 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 10.3 p -157.28 163.64 38.51 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.939 0.399 . . . . 0.0 110.73 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.355 179.859 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 39.8 p-10 -90.15 5.78 45.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.947 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -134.17 162.39 32.28 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.464 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 5' ' ' THR . 6.1 tt -83.06 164.77 20.1 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.25 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.528 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.8 t -172.59 174.89 3.62 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.59 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -51.02 -55.15 18.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.159 0.504 . . . . 0.0 109.783 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.424 ' OE2' ' OE1' ' A' ' 11' ' ' GLU . 45.4 tp10 -44.43 -53.45 6.87 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.637 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -45.0 -59.75 2.42 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.408 HG13 ' H ' ' A' ' 10' ' ' ALA . 10.2 pt -55.75 -47.77 78.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 C-N-CA 119.766 -0.774 . . . . 0.0 110.509 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -62.23 -35.16 78.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.114 0.483 . . . . 0.0 109.995 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' OE1' ' OE2' ' A' ' 7' ' ' GLU . 32.7 tp10 -58.81 -47.76 83.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.137 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.44 -41.57 96.48 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.303 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -57.94 -47.23 83.52 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -58.33 -55.21 37.9 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.488 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.89 -42.48 76.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.93 0.395 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.03 -51.03 71.36 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.6 m -56.92 -34.77 68.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.172 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.31 -43.48 86.14 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.194 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' LYS . 63.8 m-85 -68.35 -49.16 62.19 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.853 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 40.5 t0 -63.28 79.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.405 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 19' ' ' PHE . 23.1 mmmt -62.17 -52.95 61.74 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.535 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 23.9 p-10 -63.62 -17.03 62.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.048 0.451 . . . . 0.0 109.821 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.92 42.65 99.75 Favored Glycine 0 CA--C 1.527 0.83 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.991 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.405 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 34.6 p-10 -93.42 -2.35 54.72 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.216 0.508 . . . . 0.0 111.149 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.99 8.81 53.55 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 2.0 p -143.54 164.82 29.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.131 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.8 mt -115.51 137.22 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 29' ' ' THR . 80.0 m -118.95 168.84 10.41 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.029 0.443 . . . . 0.0 111.14 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.645 ' N ' HG22 ' A' ' 28' ' ' THR . 62.2 p -61.67 -44.59 96.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -66.73 -42.3 86.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.772 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 90.9 mt-10 -57.52 -57.07 14.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.025 0.44 . . . . 0.0 109.86 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.57 -45.82 92.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.561 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.84 -43.46 48.07 Favored Glycine 0 N--CA 1.452 -0.293 0 N-CA-C 110.181 -1.167 . . . . 0.0 110.181 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -59.86 -47.35 86.09 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.25 -37.02 72.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.045 0.45 . . . . 0.0 110.523 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mtp -66.56 -40.18 88.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.209 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.61 -51.12 37.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.958 0.409 . . . . 0.0 110.736 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 t -53.11 -23.99 9.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.481 HD22 ' HB1' ' B' ' 58' ' ' ALA . 56.7 mt -83.86 -19.65 34.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.997 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.5 21.8 55.48 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.039 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -108.93 145.61 35.14 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.424 -0.456 . . . . 0.0 110.652 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.464 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.6 OUTLIER -36.02 100.45 0.2 Allowed Pre-proline 0 CA--C 1.541 0.602 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.131 -179.388 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -80.6 -95.94 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.272 1.982 . . . . 0.0 112.149 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m 68.17 111.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.063 0.458 . . . . 0.0 110.529 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 46' ' ' ALA . 1.3 pt-20 -68.41 -53.31 24.58 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.327 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -38.88 -46.27 1.28 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.127 0.489 . . . . 0.0 109.724 -178.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -59.05 -55.72 31.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.816 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mp -60.02 -52.59 64.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.647 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -46.86 -29.98 2.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.171 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -80.9 -42.81 20.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.153 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.9 mmt -66.98 -44.75 79.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.773 0.32 . . . . 0.0 111.013 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.525 HD12 HG22 ' A' ' 29' ' ' THR . 29.1 mt -65.38 -43.99 94.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.21 -39.93 88.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.887 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -65.73 -40.39 92.12 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.58 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.4 m -98.6 22.46 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 5.4 t70 -87.78 112.12 22.09 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.895 0.379 . . . . 0.0 110.075 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.75 64.63 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -92.46 -5.71 51.34 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.653 0.263 . . . . 0.0 111.67 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.588 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 73.64 19.65 79.73 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -76.13 -21.42 56.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.997 0.427 . . . . 0.0 110.585 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 88.12 19.87 51.54 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.9 p -132.82 153.52 51.21 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.717 0.294 . . . . 0.0 110.699 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.468 HD11 HG23 ' A' ' 52' ' ' ILE . 17.6 mm -108.01 117.7 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -86.09 -177.24 6.23 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.045 0.45 . . . . 0.0 111.226 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.558 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -59.24 -43.24 96.49 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.017 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 9.0 Cg_exo -67.79 -54.82 0.31 Allowed 'Trans proline' 0 N--CA 1.501 1.924 0 C-N-CA 123.065 2.51 . . . . 0.0 113.073 -177.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -52.34 -45.17 65.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.889 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -63.33 -48.35 78.36 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.248 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 69' ' ' LEU . 1.6 tm? -54.82 -36.09 64.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.058 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m -78.75 -70.14 0.52 Allowed 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 112.935 0.716 . . . . 0.0 112.935 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.7 ptp -50.66 -19.9 1.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.9 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.44 ' C ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -88.59 -27.49 21.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.071 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -37.1 76.07 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.578 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 27.7 mmm-85 -53.96 -62.97 1.31 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.294 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt 39.48 37.56 0.3 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.238 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 28.1 ttt -43.2 -93.48 0.0 OUTLIER 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.756 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.411 ' O ' ' OE1' ' B' ' 53' ' ' GLN . 78.2 tttt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.228 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 99.1 m -62.72 -44.7 95.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 0.0 110.314 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.46 -23.15 6.44 Favored Glycine 0 N--CA 1.469 0.845 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.71 -54.61 45.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.51 94.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.93 0.395 . . . . 0.0 110.841 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.574 HD13 ' O ' ' B' ' 50' ' ' LEU . 0.2 OUTLIER -63.79 -41.08 98.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.672 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 38.8 t -58.68 -46.65 86.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.243 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -67.59 -46.11 73.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.754 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.411 ' OE1' ' O ' ' A' ' 77' ' ' LYS . 57.4 tt0 -64.12 -46.57 83.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.56 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.0 93.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.688 0.28 . . . . 0.0 111.096 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.45 92.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.03 -44.57 95.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.671 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -62.39 -50.22 72.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.79 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.481 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -68.01 -37.51 81.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.532 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.17 81.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.189 0.519 . . . . 0.0 110.055 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -65.03 -40.15 94.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.544 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -53.66 -43.98 69.28 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.32 86.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.062 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -62.17 -47.31 85.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.5 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 51.1 tp -63.12 -46.95 84.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 3.2 mmt -68.24 -36.99 80.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.27 6.57 55.38 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.791 -0.524 . . . . 0.0 111.791 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 3.5 m 60.83 89.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.008 0.432 . . . . 0.0 110.723 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.83 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 3' ' ' GLN . 64.9 t0 -68.07 133.18 48.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.164 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.44 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 18.4 pt20 -69.94 160.89 31.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.568 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.43 ' HG ' ' H ' ' A' ' 5' ' ' THR . 1.8 tp -63.56 175.9 0.97 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.777 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.43 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 4.0 t -179.2 179.55 0.64 Allowed 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.399 0.437 . . . . 0.0 110.551 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -57.39 -48.89 77.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.276 0.56 . . . . 0.0 110.045 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -46.06 -61.02 1.93 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.938 0.399 . . . . 0.0 110.481 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -44.25 -58.15 3.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.417 -177.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 pt -58.45 -50.06 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.777 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.62 -33.25 69.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.263 0.554 . . . . 0.0 109.76 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.532 ' OE2' ' NH2' ' B' ' 60' ' ' ARG . 17.2 tp10 -65.16 -41.91 94.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.131 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.578 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.79 -40.56 88.18 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.877 0.37 . . . . 0.0 110.494 -179.803 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -62.9 -44.64 95.54 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.473 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -59.02 -56.32 23.79 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.316 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.32 -45.61 69.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.056 0.455 . . . . 0.0 110.076 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -56.01 -51.84 66.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.831 179.553 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -53.77 -35.17 61.01 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.197 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.49 -42.9 86.72 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.313 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 21' ' ' LYS . 68.7 m-85 -73.7 -46.06 48.49 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.688 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 41.8 t0 -65.32 71.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.62 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -58.99 -50.31 74.55 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.389 -179.208 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 18.7 p-10 -62.51 -18.51 62.1 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.46 41.18 95.19 Favored Glycine 0 CA--C 1.526 0.759 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.087 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 p-10 -93.01 -4.7 52.13 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 117.063 0.432 . . . . 0.0 111.128 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.72 3.22 40.11 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -143.19 165.87 26.24 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.3 mt -110.34 130.24 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.55 HG22 ' N ' ' A' ' 29' ' ' THR . 57.2 m -108.79 162.55 14.08 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.199 -179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.55 ' N ' HG22 ' A' ' 28' ' ' THR . 8.2 p -59.4 -43.01 93.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.363 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.48 -41.14 89.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.527 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 66.5 mt-10 -58.17 -55.16 38.6 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.78 -47.28 86.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.597 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.84 -43.26 38.87 Favored Glycine 0 CA--C 1.518 0.223 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 89.5 m -60.1 -48.07 83.26 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.75 -41.39 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-O 120.869 0.366 . . . . 0.0 110.68 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 65.3 mmm -65.95 -41.66 90.97 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.546 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' GLY . 4.7 tmt_? -74.39 -50.73 17.39 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.053 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.3 m -51.57 -22.11 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.449 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.6 mt -90.67 -16.89 27.75 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.901 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 99.34 19.48 20.77 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 121.511 -0.376 . . . . 0.0 112.188 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -75.65 150.42 37.96 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 122.509 -0.407 . . . . 0.0 110.697 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -38.02 146.04 0.3 Allowed Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.591 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.617 ' C ' HG23 ' A' ' 44' ' ' THR . 53.9 Cg_endo -71.13 -161.66 0.09 OUTLIER 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.491 2.127 . . . . 0.0 111.226 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.617 HG23 ' C ' ' A' ' 43' ' ' PRO . 3.0 p 79.88 105.12 0.07 Allowed 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.859 0.725 . . . . 0.0 111.192 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 48' ' ' LEU . 77.6 tt0 -84.42 -51.62 6.8 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.219 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -37.51 -31.31 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.506 0.669 . . . . 0.0 109.336 -178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 45' ' ' GLU . 68.6 mt-10 -60.02 -55.22 36.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.792 177.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 45' ' ' GLU . 8.1 mp -59.8 -51.16 70.92 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -51.82 -25.67 8.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.536 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -80.43 -43.51 20.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.176 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.473 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 37.9 mmt -61.96 -45.84 91.88 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.838 0.351 . . . . 0.0 110.728 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.446 HG12 HD11 ' A' ' 63' ' ' ILE . 81.4 mt -65.86 -42.67 92.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.356 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 29.7 t30 -47.53 -35.94 9.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.037 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -73.33 -42.64 62.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.438 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.2 m -96.7 19.2 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 46.1 p-10 -79.81 112.99 17.62 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.092 0.472 . . . . 0.0 110.495 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.79 -65.02 0.74 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -88.83 -0.97 57.84 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.76 23.62 77.7 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.072 -1.211 . . . . 0.0 110.072 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -82.17 -11.75 58.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.432 -0.384 . . . . 0.0 110.54 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.92 9.65 58.24 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 30.3 p -130.25 162.2 29.5 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.045 0.45 . . . . 0.0 110.603 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.446 HD11 HG12 ' A' ' 52' ' ' ILE . 87.9 mt -107.96 132.79 54.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.164 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -82.0 167.57 18.73 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.584 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' CZ ' ' A' ' 16' ' ' PHE . 9.0 m-85 -50.1 -65.3 0.9 Allowed Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.979 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.444 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.7 Cg_endo -58.11 -43.98 43.19 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.481 2.121 . . . . 0.0 113.16 -177.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -47.81 -52.59 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -60.75 -46.58 89.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.3 0.571 . . . . 0.0 110.169 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.578 HD12 ' CD2' ' A' ' 12' ' ' PHE . 2.3 tt -55.74 -26.89 47.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.811 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.9 m -88.19 -69.89 0.67 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.9 ptp -47.98 -17.72 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.652 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.8 ptm -84.54 -27.2 27.5 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 120.456 -0.498 . . . . 0.0 111.018 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.78 -66.99 0.72 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.283 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -57.28 -16.87 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.159 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.1 tttp 54.64 -90.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.125 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.0 tpp -79.54 -148.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.597 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.146 179.808 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.335 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.588 HG22 ' H ' ' B' ' 48' ' ' ALA . 25.6 m -62.85 131.47 48.91 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.826 0.346 . . . . 0.0 110.264 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.03 -14.95 63.63 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.588 ' H ' HG22 ' B' ' 46' ' ' THR . . . -59.4 -48.42 81.7 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.21 -46.86 85.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.927 0.394 . . . . 0.0 111.063 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.616 ' O ' HD23 ' B' ' 50' ' ' LEU . 1.5 tt -62.52 -41.52 98.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.479 0.657 . . . . 0.0 109.852 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 51.1 m -57.45 -44.18 84.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.233 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -64.88 -38.94 92.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.584 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -62.1 -46.15 90.34 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.379 -179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.99 87.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.674 0.273 . . . . 0.0 111.174 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.29 95.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 0.0 110.746 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.34 -44.35 94.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.574 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -63.62 -49.86 71.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.925 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.73 88.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.611 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.57 96.51 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.929 0.395 . . . . 0.0 110.097 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.532 ' NH2' ' OE2' ' A' ' 11' ' ' GLU . 19.5 mmt85 -64.82 -41.11 96.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.808 179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -65.73 -41.69 91.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.756 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.86 -46.24 79.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.437 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.1 -46.88 82.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.48 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.92 -47.53 82.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.182 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 76.5 mtp -67.52 -37.85 83.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.222 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.61 -8.76 76.67 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 23.0 p -78.83 163.38 25.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.875 0.369 . . . . 0.0 110.813 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.712 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 29.3 p-10 -81.11 -1.97 46.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.389 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -135.47 175.92 9.15 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.402 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.427 ' N ' HD22 ' A' ' 4' ' ' LEU . 4.2 mm? -59.59 -161.58 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.714 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 6' ' ' GLU . 25.4 m -163.67 159.65 21.83 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 5' ' ' THR . 80.8 tt0 -49.77 -58.81 4.6 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.316 0.579 . . . . 0.0 110.811 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -44.65 -58.48 3.01 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.395 -179.696 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -46.8 -62.01 1.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.5 pt -55.0 -50.17 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 C-N-CA 119.726 -0.79 . . . . 0.0 110.646 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.49 85.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.078 0.466 . . . . 0.0 110.226 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -59.34 -49.17 78.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.19 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.49 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.38 -42.89 99.77 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.518 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -45.99 91.81 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.752 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' B' ' 63' ' ' LYS . 72.5 mm-40 -63.63 -56.73 13.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.593 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -55.93 -36.28 67.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.097 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.419 ' CZ ' ' CZ ' ' A' ' 65' ' ' PHE . 0.6 OUTLIER -58.3 -53.15 61.51 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.581 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -67.78 -20.57 65.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.551 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 mt -74.79 -45.59 42.6 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.929 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.593 ' CE2' ' HB1' ' A' ' 15' ' ' ALA . 18.3 m-85 -74.45 -54.32 7.8 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.724 -178.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -52.35 86.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.481 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' PHE . 19.8 mmtp -61.07 -54.28 46.65 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.29 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.71 -17.7 61.21 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.42 44.45 93.61 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.66 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' OD1' ' OG1' ' A' ' 26' ' ' THR . 47.1 p-10 -96.91 -5.25 38.5 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.961 0.381 . . . . 0.0 111.301 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.96 15.1 24.95 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 111.274 -0.731 . . . . 0.0 111.274 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.411 ' OG1' ' OD1' ' A' ' 24' ' ' ASP . 2.9 p -142.82 149.42 38.57 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.0 mt -107.94 146.8 13.49 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.043 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.6 HG22 ' N ' ' A' ' 29' ' ' THR . 62.0 m -136.13 167.45 21.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.891 0.377 . . . . 0.0 111.306 -179.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.627 HG22 HD12 ' A' ' 52' ' ' ILE . 52.4 p -60.3 -36.99 79.16 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.179 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -72.32 -42.1 65.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.709 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HB2' ' H ' ' A' ' 28' ' ' THR . 56.4 mt-10 -60.77 -61.54 2.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.145 0.498 . . . . 0.0 109.766 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.86 -46.29 85.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.674 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.28 -39.86 44.07 Favored Glycine 0 N--CA 1.453 -0.213 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 92.6 m -60.73 -49.18 78.54 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.66 -42.35 91.52 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 CA-C-O 121.075 0.464 . . . . 0.0 110.626 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 49.0 mtp -66.27 -43.33 86.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.421 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 40' ' ' GLY . 14.2 tpt180 -65.11 -51.32 62.01 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.202 -179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.1 t -49.43 -30.88 8.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.186 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 56.1 mt -80.1 -19.6 47.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 64.35 27.18 71.29 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -102.44 -40.07 6.86 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 120.78 0.324 . . . . 0.0 110.692 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -136.01 81.25 39.7 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.633 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' A' ' 45' ' ' GLU . 42.5 Cg_endo -72.25 -21.39 23.41 Favored 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 122.625 2.216 . . . . 0.0 111.93 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.414 ' H ' HG22 ' A' ' 44' ' ' THR . 0.5 OUTLIER -61.57 71.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 43' ' ' PRO . 62.6 tt0 -56.95 -10.36 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.277 179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.56 -41.34 60.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.775 178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -55.1 -46.49 75.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.46 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -63.27 -52.2 63.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.938 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.468 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 77.6 mt-30 -43.87 -42.62 5.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.411 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -70.62 -39.7 73.57 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.037 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 16.1 mmt -65.29 -46.11 81.7 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.754 0.312 . . . . 0.0 111.138 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.627 HD12 HG22 ' A' ' 29' ' ' THR . 29.5 mt -64.74 -43.19 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 49' ' ' GLN . 74.9 m-20 -62.0 -40.0 94.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.739 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -65.27 -45.08 85.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.409 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.5 m -90.08 19.73 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 111.614 0.227 . . . . 0.0 111.614 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -84.37 108.2 17.07 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.933 0.397 . . . . 0.0 110.199 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.43 -40.49 21.12 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.896 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -86.63 -21.21 26.89 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.664 0.269 . . . . 0.0 111.401 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.04 23.36 59.44 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 110.119 -1.192 . . . . 0.0 110.119 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -83.65 -17.83 40.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.881 0.372 . . . . 0.0 110.565 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.22 10.18 75.03 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.1 p -133.72 162.32 32.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.717 0.294 . . . . 0.0 110.993 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 mm -105.12 111.06 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.815 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -72.91 -168.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.159 -178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -65.15 -63.92 3.1 Favored Pre-proline 0 C--O 1.247 0.936 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.508 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.619 ' O ' ' N ' ' A' ' 70' ' ' THR . 19.2 Cg_endo -57.47 -50.03 11.98 Favored 'Trans proline' 0 C--O 1.195 -1.661 0 C-N-CA 122.154 1.902 . . . . 0.0 112.545 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 66' ' ' PRO . 80.8 mm-40 -39.11 -54.13 1.76 Allowed 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.152 -177.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -63.42 -64.45 0.9 Allowed 'General case' 0 C--O 1.258 1.513 0 CA-C-O 122.03 0.919 . . . . 0.0 111.013 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.642 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 2.0 tt -58.08 -37.35 74.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.454 -179.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.619 ' N ' ' O ' ' A' ' 66' ' ' PRO . 25.8 m -47.55 -70.08 0.11 Allowed 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.316 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.665 ' HG3' ' H ' ' A' ' 72' ' ' MET . 3.4 ptp -49.41 -70.2 0.09 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 118.885 -1.126 . . . . 0.0 110.258 -178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.665 ' H ' ' HG3' ' A' ' 71' ' ' MET . 19.6 ptm -45.38 -22.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.423 0.63 . . . . 0.0 109.618 -177.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -120.87 72.68 0.98 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.044 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -106.77 6.33 29.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.811 0.339 . . . . 0.0 110.831 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -63.06 -42.76 99.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.695 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.5 mtt -67.33 -46.31 73.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.1 0.476 . . . . 0.0 110.423 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.858 -1.067 . . . . 0.0 109.92 -179.728 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 65.7 p -83.95 165.65 18.47 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.737 0.303 . . . . 0.0 110.364 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -149.03 -1.01 0.43 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.59 -48.23 82.48 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.87 88.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 0.0 111.167 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.629 ' O ' HD23 ' B' ' 50' ' ' LEU . 2.5 tt -62.56 -44.33 96.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.261 0.553 . . . . 0.0 109.785 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 11.2 t -60.43 -46.0 91.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.578 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -63.75 -45.75 88.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.69 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -59.15 -43.63 92.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.419 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.59 95.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.757 0.313 . . . . 0.0 111.357 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.17 -41.47 90.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.8 -43.68 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.658 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.63 -44.9 96.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.776 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.22 -41.34 85.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.597 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.48 -39.51 93.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.094 0.473 . . . . 0.0 110.055 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 tpp85 -61.29 -44.7 96.79 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.615 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.81 -41.01 99.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.294 -0.412 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.46 98.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.249 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.423 ' NZ ' ' OE1' ' A' ' 14' ' ' GLU . 88.5 tttt -64.01 -45.17 90.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.495 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 66.4 mt -63.23 -40.66 98.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.887 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 28.1 ttt -66.02 -37.27 85.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.838 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.79 13.18 63.06 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 47.8 t -67.41 143.55 56.23 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.581 -0.364 . . . . 0.0 110.654 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.318 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' O ' ' NE2' ' A' ' 3' ' ' GLN . . . . . . . . 0 N--CA 1.487 1.417 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -86.82 99.98 12.2 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.358 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.435 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 24.2 mp0 -66.09 173.32 3.14 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.512 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 tp 69.5 -177.59 0.21 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.912 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 8' ' ' GLN . 6.0 t -173.55 171.85 3.79 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.537 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 39.8 tp10 -55.89 -51.57 67.14 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.154 0.502 . . . . 0.0 110.022 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -45.12 -58.89 2.92 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.608 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' H ' HG23 ' A' ' 5' ' ' THR . 26.5 tp60 -42.65 -59.1 2.04 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.413 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.7 pt -57.09 -49.24 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 119.93 -0.708 . . . . 0.0 111.101 -178.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.93 -39.96 87.3 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -57.5 -47.12 82.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.039 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.32 -43.23 99.31 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -56.43 -44.5 80.49 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.519 ' OE1' ' NH1' ' B' ' 60' ' ' ARG . 96.6 mt-10 -59.57 -55.11 38.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.071 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.521 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -59.26 -40.85 87.31 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.236 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -50.89 72.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.473 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.0 t -57.51 -34.94 69.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.306 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.6 mt -66.65 -43.06 85.6 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 21' ' ' LYS . 53.8 m-85 -71.23 -51.74 22.92 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.551 -178.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 27.7 t0 -55.15 82.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.649 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.0 mmmt -65.05 -55.35 19.39 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.534 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 22.3 p-10 -61.67 -18.54 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.318 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 63.09 41.02 99.89 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.067 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 26' ' ' THR . 29.6 p-10 -92.83 -6.45 48.81 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.011 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.46 6.88 43.76 Favored Glycine 0 N--CA 1.468 0.773 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.424 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 2.1 p -142.48 167.72 21.42 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.8 mt -118.16 137.6 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.653 HG22 ' N ' ' A' ' 29' ' ' THR . 80.2 m -116.72 168.58 10.08 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.015 0.436 . . . . 0.0 111.026 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.653 ' N ' HG22 ' A' ' 28' ' ' THR . 81.6 p -61.49 -41.01 96.63 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.594 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -71.58 -38.88 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.703 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 86.5 mt-10 -60.15 -58.24 9.4 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.266 0.555 . . . . 0.0 109.872 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 tp -60.54 -46.11 91.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.541 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -40.28 39.99 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.5 m -61.04 -50.41 73.45 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.45 -39.84 84.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.189 0.518 . . . . 0.0 110.844 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.481 ' SD ' HD21 ' A' ' 48' ' ' LEU . 54.4 mtp -69.15 -41.33 77.42 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.003 0.43 . . . . 0.0 111.445 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -70.78 -51.05 29.48 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.447 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.0 m -52.51 -22.46 4.88 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.8 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.8 mt -90.35 -15.7 30.61 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.144 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.77 12.23 57.0 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.458 -0.401 . . . . 0.0 112.139 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.417 HE22 ' HB1' ' B' ' 54' ' ' ALA . 40.1 tt0 -90.33 168.64 11.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.933 0.366 . . . . 0.0 110.69 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.404 ' N ' ' HG2' ' A' ' 41' ' ' GLN . 6.6 m120 -35.03 98.45 0.15 Allowed Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.387 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -81.05 19.41 1.16 Allowed 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.486 2.124 . . . . 0.0 111.642 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 p -65.08 85.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -54.62 -12.96 0.84 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.333 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.21 -40.26 18.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.227 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -60.02 -45.26 93.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.392 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.6 mp -63.91 -54.32 36.56 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.902 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -49.6 -35.22 20.16 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.616 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -79.9 -43.83 21.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 12.2 mmt -62.45 -45.26 93.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.69 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.612 HD12 HG22 ' A' ' 29' ' ' THR . 31.4 mt -64.18 -41.67 93.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -54.87 -39.5 68.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.687 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.72 -42.75 81.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.407 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.3 m -102.59 34.45 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.2 p30 -80.02 -151.96 0.07 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.973 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -158.11 -75.11 0.08 Allowed 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.388 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -92.0 0.56 57.47 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 121.232 -0.187 . . . . 0.0 111.133 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.3 15.46 76.53 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.359 -1.096 . . . . 0.0 110.359 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -72.44 -14.91 61.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 110.586 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.28 16.14 80.01 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.7 p -129.39 159.27 36.75 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.089 0.471 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.479 HD11 HG23 ' A' ' 52' ' ' ILE . 33.9 mm -103.53 123.24 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.421 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -84.0 176.01 9.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.438 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.477 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 m-85 -51.56 -65.46 0.96 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.551 -0.75 . . . . 0.0 112.013 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 17.9 Cg_endo -59.09 -43.65 40.71 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.465 2.11 . . . . 0.0 112.692 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -50.09 -50.43 48.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -61.42 -48.61 80.39 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.509 0.671 . . . . 0.0 110.593 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 tt -55.94 -24.77 40.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.427 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.9 m -90.76 -60.7 1.85 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.605 ' SD ' ' CE2' ' B' ' 52' ' ' TRP . 6.8 ptp -48.02 -18.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.191 -178.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.5 ptt? -83.91 -23.91 30.98 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.619 -0.433 . . . . 0.0 110.538 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.625 ' C ' ' H ' ' A' ' 75' ' ' LYS . . . -98.19 29.25 3.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.51 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.8 mmm-85 -54.64 2.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.886 0.374 . . . . 0.0 111.244 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.625 ' H ' ' C ' ' A' ' 73' ' ' ALA . 99.2 mttt -66.73 -175.8 0.43 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.613 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.8 mtm -89.22 152.49 21.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.475 -179.79 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.352 -1.499 . . . . 0.0 109.352 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.528 HG22 ' N ' ' B' ' 47' ' ' GLY . 58.6 m -73.65 163.29 28.2 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.966 0.412 . . . . 0.0 110.268 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.528 ' N ' HG22 ' B' ' 46' ' ' THR . . . 160.88 -15.6 0.18 Allowed Glycine 0 CA--C 1.528 0.887 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.3 -48.16 81.39 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.78 88.74 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.959 0.409 . . . . 0.0 111.144 -179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.618 ' O ' HD23 ' B' ' 50' ' ' LEU . 1.8 tt -61.91 -45.18 94.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.357 0.599 . . . . 0.0 109.962 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 80.3 p -62.45 -43.72 98.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . 0.605 ' CE2' ' SD ' ' A' ' 71' ' ' MET . 19.9 m95 -64.53 -45.02 88.96 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.272 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -64.25 -39.18 93.43 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.318 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.417 ' HB1' HE22 ' A' ' 41' ' ' GLN . . . -65.5 -39.62 92.09 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.634 0.254 . . . . 0.0 111.202 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.55 -41.61 88.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.4 -44.26 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.512 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -63.04 -48.52 78.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.786 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.94 95.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.524 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.13 -43.82 94.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.077 0.465 . . . . 0.0 110.245 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.519 ' NH1' ' OE1' ' A' ' 14' ' ' GLU . 16.8 mmm180 -63.81 -42.68 97.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.048 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 -64.81 -43.69 92.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 109.884 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.87 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.285 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.0 -37.47 87.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.473 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.88 -49.07 78.95 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.071 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -35.06 60.72 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.551 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.457 ' C ' ' N ' ' B' ' 68' ' ' ALA . . . 85.31 11.64 74.99 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.166 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 15.7 t 46.79 16.4 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.017 0.437 . . . . 0.0 110.456 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.457 ' N ' ' C ' ' B' ' 66' ' ' GLY . . . . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.871 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -90.46 111.87 23.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.212 -0.903 . . . . 0.0 111.1 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -149.36 157.15 43.08 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.332 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.6 tp -68.71 158.46 34.17 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.769 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 8' ' ' GLN . 8.7 t -171.04 169.9 6.41 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.65 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.61 -55.12 24.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.087 0.47 . . . . 0.0 110.192 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -44.68 -58.66 2.91 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.498 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.445 ' H ' HG23 ' A' ' 5' ' ' THR . 38.3 tp60 -46.01 -58.86 3.22 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -177.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.5 pt -57.26 -49.55 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 119.582 -0.847 . . . . 0.0 110.863 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.72 82.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.061 0.458 . . . . 0.0 109.885 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -57.8 -45.49 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.671 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.46 -44.15 95.3 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.209 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -56.58 -45.17 81.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.324 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.55 -55.16 38.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.125 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.514 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.68 -40.97 85.1 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.179 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CZ ' ' CE1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -58.96 -51.64 69.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.152 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 38.5 t -56.4 -35.61 67.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.11 -43.73 86.35 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.691 -179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 21' ' ' LYS . 53.1 m-85 -70.83 -50.19 38.12 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.802 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.473 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 37.1 t0 -60.46 76.35 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.823 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.7 mmmt -61.26 -51.74 67.64 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.345 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 5.3 m-20 -60.5 -18.11 49.72 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.49 41.64 98.75 Favored Glycine 0 CA--C 1.524 0.618 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.946 178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -98.13 -2.08 40.82 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.904 0.352 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 97.21 10.01 54.94 Favored Glycine 0 N--CA 1.468 0.818 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 p -141.96 159.61 41.88 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -113.67 139.88 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.601 HG22 ' N ' ' A' ' 29' ' ' THR . 90.9 m -124.54 165.37 17.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.917 0.389 . . . . 0.0 111.216 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.601 ' N ' HG22 ' A' ' 28' ' ' THR . 36.7 p -56.54 -43.76 80.21 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.429 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -67.51 -41.77 83.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.795 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.462 ' HB2' ' H ' ' A' ' 28' ' ' THR . 54.3 mt-10 -58.32 -60.92 3.02 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.411 HD22 ' CH2' ' B' ' 52' ' ' TRP . 42.2 tp -61.91 -48.31 81.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.871 179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.66 -44.32 23.0 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 110.123 -1.191 . . . . 0.0 110.123 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.4 m -60.27 -47.81 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.6 t -60.94 -40.54 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-O 120.732 0.301 . . . . 0.0 110.611 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 63.0 mtp -66.14 -43.17 87.81 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.29 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -68.36 -51.23 46.62 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.663 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 78.8 p -50.58 -28.0 7.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.457 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.0 mt -80.57 -17.98 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.16 19.19 17.39 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.769 -0.532 . . . . 0.0 111.769 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -74.33 129.13 37.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -51.01 152.67 3.59 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.469 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -40.35 97.86 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.21 0 C-N-CA 122.321 2.014 . . . . 0.0 111.721 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.0 t -137.85 -1.67 1.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.272 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -53.35 -22.04 6.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.399 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 -43.04 57.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.255 0.55 . . . . 0.0 110.22 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.0 tp10 -55.99 -47.01 78.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.445 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -61.3 -50.99 70.73 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.101 179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -45.56 -43.55 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.035 0.445 . . . . 0.0 110.802 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -72.12 -39.41 68.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.255 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 55' ' ' VAL . 22.7 mmt -69.39 -48.26 61.71 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.999 -0.281 . . . . 0.0 111.625 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.9 mt -57.63 -42.1 80.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -60.27 -17.81 44.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.839 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -94.69 -55.27 3.19 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.786 -0.188 . . . . 0.0 111.477 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 51' ' ' MET . 15.4 m -65.41 -21.23 28.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.54 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 25.8 t0 -58.43 125.71 24.47 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.66 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.97 61.44 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.226 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -91.39 -3.73 56.41 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 120.554 0.216 . . . . 0.0 111.301 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.52 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 68.65 27.86 73.54 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.001 -1.24 . . . . 0.0 110.001 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.452 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 32.5 t-20 -79.79 -14.79 58.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 110.724 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.54 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 88.96 12.2 64.12 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 29.8 p -128.41 156.8 42.59 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.022 0.439 . . . . 0.0 110.737 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.0 mm -104.34 121.93 56.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.021 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.415 ' C ' ' OD1' ' A' ' 64' ' ' ASP . 7.4 p30 -81.57 175.06 10.82 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.421 -178.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.46 ' CE1' ' CZ ' ' A' ' 16' ' ' PHE . 2.9 m-85 -51.59 -64.72 1.26 Allowed Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.394 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.2 Cg_endo -57.31 -47.53 21.84 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.477 2.118 . . . . 0.0 113.58 -177.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -49.65 -51.92 34.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.142 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 29.5 t80 -61.8 -49.13 77.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.143 0.497 . . . . 0.0 110.5 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tt -52.07 -28.8 18.71 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.3 m -84.34 -70.24 0.59 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.3 ptp -53.54 -19.4 3.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.744 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -86.13 -30.45 22.51 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.13 179.314 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.23 74.78 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.563 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -66.9 -17.93 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.009 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt 39.51 -145.66 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.517 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.438 ' O ' ' SD ' ' A' ' 76' ' ' MET . 0.5 OUTLIER -137.57 88.44 2.34 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.241 0.543 . . . . 0.0 110.196 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 C--O 1.217 -0.607 0 CA-C-O 118.27 -0.872 . . . . 0.0 109.584 -179.667 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' B' ' 46' ' ' THR . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . 0.439 ' O ' ' O ' ' B' ' 45' ' ' GLY . 8.7 p 56.67 155.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.877 0.37 . . . . 0.0 110.547 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.96 141.53 3.15 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.22 -53.22 60.69 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.17 97.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.969 0.414 . . . . 0.0 111.126 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 tt -64.02 -41.94 97.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 77.2 p -60.44 -43.81 96.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.16 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . 0.429 ' O ' HG22 ' B' ' 56' ' ' ILE . 55.1 m95 -66.45 -42.34 87.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.575 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.53 -41.29 96.47 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.438 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.2 -37.21 69.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.311 . . . . 0.0 111.326 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.35 -48.7 55.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.345 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.527 HG23 ' N ' ' B' ' 57' ' ' ASP . 20.2 tt -67.48 -43.02 87.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 110.837 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . 0.527 ' N ' HG23 ' B' ' 56' ' ' ILE . 63.7 t0 -63.29 -39.21 93.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.494 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.0 -49.27 18.09 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.644 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.92 94.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.07 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -64.77 -41.75 95.64 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.56 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.499 ' O ' ' SD ' ' B' ' 65' ' ' MET . 59.6 tt0 -53.85 -45.49 70.96 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.65 91.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.956 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -63.14 -44.43 95.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.471 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 38.7 tp -61.85 -43.48 98.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.947 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . 0.562 ' N ' ' SD ' ' B' ' 65' ' ' MET . 0.0 OUTLIER -66.25 -37.38 85.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.846 -179.41 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.54 21.08 70.21 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 121.217 -0.516 . . . . 0.0 111.94 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 5.9 m 44.11 30.3 0.42 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.996 0.427 . . . . 0.0 110.595 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.216 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 54.64 36.22 25.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.546 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -122.52 113.0 18.7 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.386 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.829 HD23 ' H ' ' A' ' 4' ' ' LEU . 1.2 pt? -91.44 -147.76 0.21 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.115 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.536 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 2.6 t -170.04 172.23 6.59 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.217 0.532 . . . . 0.0 110.893 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 39.2 tp10 -46.9 -57.89 4.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.775 0.798 . . . . 0.0 110.216 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.58 -56.68 4.87 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.541 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -45.58 -56.34 5.26 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.416 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 13.2 pt -57.63 -47.6 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.81 -178.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -62.89 -36.57 83.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.122 0.487 . . . . 0.0 109.815 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.12 -48.72 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.35 -38.97 93.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.895 0.379 . . . . 0.0 110.099 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.82 -45.59 82.19 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -59.32 -54.75 43.17 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.757 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -56.25 -39.82 73.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.984 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -52.47 65.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.86 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 m -54.96 -32.58 61.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.943 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.4 -41.88 75.85 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.856 -0.337 . . . . 0.0 111.48 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 21' ' ' LYS . 60.7 m-85 -71.63 -55.41 7.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.803 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 28.0 t0 -54.33 84.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.751 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 19' ' ' PHE . 33.1 mmtt -65.96 -55.21 17.94 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.658 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 21.8 p30 -63.06 -18.54 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 64.05 41.37 98.56 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.023 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -89.66 -5.55 56.99 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 117.021 0.41 . . . . 0.0 111.24 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.38 0.78 50.48 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.2 p -140.07 158.6 43.8 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 95.2 mt -107.62 139.79 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.137 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.547 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 5.4 t -130.05 -176.94 4.1 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.991 0.424 . . . . 0.0 110.854 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.519 HG21 ' HG2' ' A' ' 49' ' ' GLN . 63.6 p -60.44 -46.51 89.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.107 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' H ' HG23 ' A' ' 28' ' ' THR . 55.1 mtpt -65.88 -46.39 78.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.304 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.547 ' OE1' ' N ' ' A' ' 28' ' ' THR . 28.0 mt-10 -54.56 -60.38 3.43 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.259 0.552 . . . . 0.0 109.856 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.16 -45.24 94.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.752 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.17 -43.89 33.36 Favored Glycine 0 N--CA 1.454 -0.138 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.4 m -59.31 -49.61 77.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.81 -40.69 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 111.139 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.49 ' SD ' HD21 ' A' ' 48' ' ' LEU . 41.9 mtp -66.66 -40.75 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.693 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 40' ' ' GLY . 75.8 ttt180 -76.18 -50.83 13.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.6 m -50.32 -25.13 3.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.686 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.5 mt -89.83 -14.31 34.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 95.56 19.13 30.63 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 112.083 -0.407 . . . . 0.0 112.083 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.552 ' HG2' ' H ' ' A' ' 42' ' ' ASN . 26.0 tt0 -96.46 177.84 5.55 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.015 0.436 . . . . 0.0 110.527 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.552 ' H ' ' HG2' ' A' ' 41' ' ' GLN . 12.6 m120 -36.25 101.92 0.22 Allowed Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.273 -179.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -74.83 -16.24 20.76 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.56 2.174 . . . . 0.0 112.031 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.33 125.38 23.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.557 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 46' ' ' ALA . 68.3 tt0 -81.76 -44.64 16.73 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.799 179.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -39.23 -45.67 1.4 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.427 0.632 . . . . 0.0 109.306 -179.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -58.98 -54.6 45.28 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.257 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.49 HD21 ' SD ' ' A' ' 36' ' ' MET . 7.4 mp -54.04 -50.98 65.48 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.519 ' HG2' HG21 ' A' ' 29' ' ' THR . 75.7 mt-30 -51.72 -28.7 15.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.37 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -78.62 -46.82 18.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.964 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.0 mtt -65.24 -44.7 87.37 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.73 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 mt -64.22 -43.42 97.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -61.88 -39.37 91.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.059 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -66.47 -39.68 88.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.183 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.5 m -105.09 27.26 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' A' ' 57' ' ' ALA . 38.5 t0 -75.69 -140.34 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.754 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.517 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . -168.88 -73.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.253 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -85.24 -2.09 57.67 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.682 0.277 . . . . 0.0 111.449 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.27 12.39 82.25 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.94 -20.16 61.8 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.086 0.469 . . . . 0.0 110.387 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.63 17.04 66.88 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.1 p -130.69 156.72 44.45 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.822 0.344 . . . . 0.0 110.774 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.05 119.64 53.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.163 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -84.13 176.89 8.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.305 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.4 m-85 -50.34 -66.43 0.65 Allowed Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.151 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 19.2 Cg_endo -57.35 -43.3 53.33 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.429 2.086 . . . . 0.0 113.185 -177.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -50.57 -52.97 34.15 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.667 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -61.58 -45.31 94.67 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 121.522 0.677 . . . . 0.0 110.024 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.694 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.4 tm? -54.91 -35.88 64.63 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.137 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.5 m -83.12 -65.86 0.96 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.617 -0.677 . . . . 0.0 112.606 -178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.5 ptp -46.05 -19.96 0.08 Allowed 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.783 -178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -85.45 -24.61 27.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.906 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.82 31.35 0.86 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.529 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -97.52 3.21 50.72 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.94 0.4 . . . . 0.0 110.588 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -43.8 -40.3 4.32 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.7 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.4 tpp 64.59 82.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.252 0.549 . . . . 0.0 110.355 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.086 179.875 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 63.0 p -70.17 -33.16 71.41 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.835 0.35 . . . . 0.0 110.269 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.85 -74.91 0.43 Allowed Glycine 0 CA--C 1.528 0.906 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.87 96.6 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.08 -39.23 93.62 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.02 0.438 . . . . 0.0 110.999 -179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.42 -42.72 98.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.44 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 72.0 m -60.23 -45.07 94.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.416 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.3 m95 -66.46 -46.91 74.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.407 179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -61.85 -41.87 98.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.307 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . 0.547 ' HB1' HE22 ' A' ' 41' ' ' GLN . . . -65.52 -40.45 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.191 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.05 93.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.859 0.362 . . . . 0.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 94.9 mt -65.13 -43.93 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.654 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.37 -47.9 82.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.792 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.63 -38.41 77.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.614 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.25 -50.77 72.72 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.35 0.595 . . . . 0.0 110.134 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -65.78 -34.03 77.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.731 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -56.44 -45.59 80.71 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.47 -40.75 89.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.279 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -63.4 -44.28 95.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.708 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.54 -45.76 91.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.998 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 88.7 mmm -67.65 -37.76 82.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.126 -179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.03 -0.82 65.45 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 111.816 -0.513 . . . . 0.0 111.816 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 43.6 t -158.68 151.88 22.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.879 0.371 . . . . 0.0 110.806 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.654 179.87 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -81.1 -2.36 47.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.005 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -79.42 157.77 27.49 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.648 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.449 ' HG ' ' H ' ' A' ' 5' ' ' THR . 1.8 tp -71.57 179.79 2.88 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.668 -179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.449 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 7.7 t -175.53 177.15 1.83 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.665 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -60.68 -49.72 76.38 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 121.241 0.543 . . . . 0.0 109.659 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -46.07 -55.18 7.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.828 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' H ' HG23 ' A' ' 5' ' ' THR . 45.2 tp60 -45.91 -58.15 3.78 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -177.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.1 pt -56.78 -47.3 82.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.708 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.32 94.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.33 0.586 . . . . 0.0 109.921 179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -52.21 -44.89 65.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.412 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.536 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -64.19 -43.1 96.1 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.066 179.621 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -56.97 -45.87 82.58 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.85 0.357 . . . . 0.0 110.372 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.8 -53.45 57.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.761 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.77 80.06 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.276 0.56 . . . . 0.0 109.934 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -51.28 70.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.738 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.2 t -54.17 -36.68 63.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.13 -42.57 96.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' LYS . 55.3 m-85 -71.5 -50.42 31.68 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.631 -0.428 . . . . 0.0 112.036 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 66.4 t0 -61.8 71.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.265 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.518 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.8 mmmt -56.44 -48.99 75.87 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.576 -0.45 . . . . 0.0 109.905 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -61.29 -16.95 50.89 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.403 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 54.57 41.14 72.66 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.773 178.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -92.76 -3.76 54.23 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.066 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.56 3.41 43.59 Favored Glycine 0 N--CA 1.466 0.695 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.9 p -144.11 165.57 27.44 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -110.19 132.12 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.579 HG22 ' N ' ' A' ' 29' ' ' THR . 88.4 m -112.87 164.06 13.88 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.961 0.41 . . . . 0.0 110.865 -179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.579 ' N ' HG22 ' A' ' 28' ' ' THR . 32.0 p -56.58 -41.74 77.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.609 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -69.0 -42.85 75.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.656 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -57.33 -62.88 1.46 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.052 0.453 . . . . 0.0 109.94 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.44 -45.19 94.21 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.719 178.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.587 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -52.39 -44.45 58.57 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 -178.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.0 m -61.94 -44.28 97.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.62 -39.83 84.53 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.32 0 CA-C-O 120.693 0.282 . . . . 0.0 111.069 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.475 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 56.2 mmm -67.12 -47.34 71.44 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.369 -0.532 . . . . 0.0 111.631 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -69.38 -50.21 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.51 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.4 t -52.08 -21.33 3.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.522 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 38.4 mt -82.68 -12.78 57.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.351 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.79 17.91 26.76 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -82.65 123.98 29.77 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.969 0.414 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -42.1 155.21 0.25 Allowed Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.29 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -40.06 98.49 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.271 0 C-N-CA 122.191 1.927 . . . . 0.0 111.622 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -135.46 -1.15 2.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -53.97 -19.12 4.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.398 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.27 -40.37 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.153 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -58.16 -47.5 83.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.551 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.528 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.2 mm? -64.56 -51.44 62.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.227 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -46.64 -42.17 15.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.448 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -68.67 -38.88 80.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.714 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.9 mmt -63.98 -47.82 78.85 Favored 'General case' 0 CA--C 1.523 -0.096 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.6 mt -62.4 -42.91 97.4 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -52.33 -17.65 1.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 56' ' ' ASP . 84.3 tt0 -99.62 -58.82 1.84 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.284 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.47 30.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.529 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 22.8 t0 -89.37 114.18 25.58 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.261 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.84 -67.57 0.35 Allowed 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -178.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -91.93 -3.57 55.78 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 111.539 0.2 . . . . 0.0 111.539 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.05 17.3 74.85 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.007 -1.237 . . . . 0.0 110.007 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -71.46 -21.08 62.0 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.016 0.436 . . . . 0.0 110.534 -179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.529 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 91.5 20.8 36.55 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 p -137.66 160.9 37.92 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 120.737 0.303 . . . . 0.0 110.805 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.5 mm -110.38 129.08 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.372 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.45 -179.24 5.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.392 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.489 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -49.99 -68.11 0.39 Allowed Pre-proline 0 CA--C 1.546 0.811 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.468 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 21.0 Cg_endo -58.89 -48.06 15.92 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 122.399 2.066 . . . . 0.0 113.365 -177.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -51.07 -48.53 61.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.939 -179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 25.1 t80 -59.01 -50.04 75.62 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 121.818 0.818 . . . . 0.0 109.802 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.698 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.2 tm? -59.01 -56.35 23.39 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.469 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.512 ' N ' HD13 ' A' ' 69' ' ' LEU . 17.3 m -55.57 -64.59 0.8 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.687 -177.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.2 ptp -42.88 -24.94 0.08 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.813 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.413 ' C ' ' SD ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -83.63 -28.73 28.23 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.793 179.796 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 70' ' ' THR . . . -97.24 15.36 23.0 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.647 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -102.54 -5.62 23.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.485 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 58.47 33.63 23.27 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.868 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 99.2 mmm -39.36 113.25 0.31 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.669 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.9 tttm . . . . . 0 C--O 1.218 -0.569 0 CA-C-O 117.899 -1.048 . . . . 0.0 109.537 -179.48 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 85.4 m -126.31 133.37 51.41 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.937 0.398 . . . . 0.0 110.232 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' B' ' 50' ' ' LEU . . . 95.7 -121.45 6.9 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . 32.86 -104.39 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.59 90.15 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 111.033 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 47' ' ' GLY . 52.8 tp -63.62 -41.45 98.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.31 179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 70.8 m -59.28 -43.47 92.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.207 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 68.4 m95 -66.24 -45.79 79.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.629 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.27 -39.04 89.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.047 0.451 . . . . 0.0 111.528 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.75 76.22 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.412 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.475 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -69.19 -42.81 75.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.347 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.528 ' O ' HD13 ' B' ' 56' ' ' ILE . 0.3 OUTLIER -66.46 -40.17 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.238 0.542 . . . . 0.0 110.622 -179.33 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -61.72 -43.22 99.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.222 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.41 -39.11 74.64 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.478 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.71 98.34 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.027 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -48.17 79.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.476 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -65.04 -40.39 94.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.101 0.477 . . . . 0.0 109.837 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.36 89.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.586 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.43 -47.48 83.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.607 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.73 -41.74 98.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.099 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 26.7 ttt -65.96 -37.71 86.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.98 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.73 1.94 89.9 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 67.1 m -134.64 153.55 51.93 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.946 0.403 . . . . 0.0 110.715 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.55 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.232 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.06 145.69 51.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.574 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -71.19 173.06 8.16 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.218 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.687 HD23 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -41.05 -90.67 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.705 -179.557 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -156.53 144.92 19.8 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-O 120.885 0.374 . . . . 0.0 110.573 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.41 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 83.7 tt0 -46.56 -58.61 3.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.395 0.617 . . . . 0.0 110.701 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.523 ' CG ' ' H ' ' A' ' 8' ' ' GLN . 5.4 pt-20 -47.33 -59.53 3.13 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 120.589 -0.445 . . . . 0.0 110.494 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.523 ' H ' ' CG ' ' A' ' 7' ' ' GLU . 67.0 mt-30 -42.55 -55.3 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.41 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 11.2 pt -61.03 -48.31 89.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.821 -0.752 . . . . 0.0 110.581 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.06 -45.9 82.9 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -54.26 -41.72 69.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.944 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.441 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.28 -44.56 94.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.065 179.706 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -59.42 -44.53 92.85 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -57.94 -55.7 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.907 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.69 -43.18 84.92 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.068 0.461 . . . . 0.0 110.094 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.95 -50.89 71.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.691 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -57.08 -32.7 66.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 18' ' ' LEU . 82.3 mt -67.52 -41.2 84.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.736 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 21' ' ' LYS . 31.1 m-85 -80.77 -43.68 19.77 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.592 -178.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 68.2 t0 -65.47 61.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.344 -179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.3 mmmt -51.93 -43.5 63.48 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.48 -19.41 62.0 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 56.52 37.21 74.04 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.968 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 25' ' ' GLY . 19.3 p-10 -98.44 -17.85 18.56 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.927 0.364 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.479 ' N ' ' OD1' ' A' ' 24' ' ' ASP . . . 114.7 9.72 13.83 Favored Glycine 0 N--CA 1.469 0.859 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.43 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.7 OUTLIER -143.55 154.73 43.9 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 87.2 mt -112.95 126.3 70.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 31' ' ' GLU . 15.2 t -114.64 176.86 4.87 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.068 0.461 . . . . 0.0 111.125 -179.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 59.9 p -61.36 -38.42 86.9 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.809 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -68.53 -45.1 73.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.151 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.535 ' H ' HG23 ' A' ' 28' ' ' THR . 33.1 mt-10 -58.94 -63.25 1.37 Allowed 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 109.917 179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.4 tp -61.65 -49.55 76.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.745 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.33 -41.08 23.6 Favored Glycine 0 CA--C 1.518 0.243 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.6 m -61.48 -51.81 67.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.83 -40.46 85.23 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 CA-C-O 120.741 0.305 . . . . 0.0 111.037 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 53.6 mmm -65.67 -29.38 69.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.919 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -74.39 -50.36 18.9 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.343 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.7 t -60.24 -30.98 69.77 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.215 0.531 . . . . 0.0 110.779 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD22 ' HB1' ' B' ' 58' ' ' ALA . 66.0 mt -69.27 -30.11 68.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.467 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.35 18.59 10.16 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.475 HE21 ' ND2' ' A' ' 42' ' ' ASN . 69.8 tp60 -78.85 155.35 29.18 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.058 0.456 . . . . 0.0 110.899 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.475 ' ND2' HE21 ' A' ' 41' ' ' GLN . 80.0 m-20 -37.04 142.43 0.37 Allowed Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.505 -178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.517 ' O ' ' N ' ' A' ' 45' ' ' GLU . 56.3 Cg_endo -72.28 -7.7 21.42 Favored 'Trans proline' 0 N--CA 1.495 1.601 0 C-N-CA 122.554 2.169 . . . . 0.0 111.864 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 44' ' ' THR . 9.7 t -57.8 77.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.305 0.574 . . . . 0.0 111.456 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 43' ' ' PRO . 15.3 pt-20 -69.6 -7.97 43.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.547 0.689 . . . . 0.0 110.163 179.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.64 65.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.598 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -57.04 -47.43 80.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.704 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.526 ' N ' HD12 ' A' ' 48' ' ' LEU . 7.3 mp -61.99 -49.26 76.76 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -52.27 -45.49 65.45 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -73.56 -41.72 62.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.238 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.1 mmt -61.03 -49.9 75.53 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.635 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.4 mt -64.27 -42.19 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.429 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 35.5 t-20 -57.37 -35.78 70.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.735 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.4 tp10 -67.44 -44.03 79.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.261 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 56' ' ' ASP . 18.8 m -95.35 16.9 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 55' ' ' VAL . 54.7 p30 -59.88 -145.36 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.977 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.38 -66.15 0.12 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.22 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.4 p-10 -99.37 12.08 37.32 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.492 0.187 . . . . 0.0 111.441 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.67 18.1 79.85 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -108.28 -0.27 20.91 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.458 -0.371 . . . . 0.0 110.366 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.636 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 71.43 176.4 24.56 Favored Glycine 0 C--O 1.221 -0.705 0 N-CA-C 109.6 -1.4 . . . . 0.0 109.6 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.636 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 17.5 p 92.28 138.13 0.03 OUTLIER 'General case' 0 C--N 1.347 0.496 0 O-C-N 124.271 0.63 . . . . 0.0 111.396 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.6 mm -105.86 135.41 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.161 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.44 176.28 6.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.485 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.2 m-85 -52.94 -66.1 0.89 Allowed Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.947 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 18.6 Cg_endo -58.95 -44.25 36.82 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 122.49 2.127 . . . . 0.0 113.065 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -48.94 -54.94 13.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.037 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -61.06 -49.08 78.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.264 0.554 . . . . 0.0 110.575 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.37 -27.29 46.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.769 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.0 m -88.64 -68.64 0.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.6 ptp -47.19 -17.05 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.401 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.6 -25.27 23.67 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.261 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.63 24.09 1.79 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.436 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -86.36 0.05 54.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.951 0.405 . . . . 0.0 110.607 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -93.34 29.99 1.8 Allowed 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.656 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 89.7 mtp -114.53 131.02 56.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.243 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.0 tptt . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.137 -0.935 . . . . 0.0 109.993 179.909 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.111 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 100.0 m -121.06 126.21 49.26 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 121.158 0.504 . . . . 0.0 110.452 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.91 160.49 51.58 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.15 75.06 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.28 96.75 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.967 0.413 . . . . 0.0 111.047 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.9 tp -63.14 -40.25 97.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.149 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 15.8 t -61.14 -44.58 97.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.267 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -63.27 -46.64 85.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.407 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -65.35 -42.93 92.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.479 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.89 86.25 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.611 0.243 . . . . 0.0 111.144 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.38 91.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.728 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.79 -44.04 96.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -61.04 -47.76 84.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.793 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.53 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -69.5 -39.74 77.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.503 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.81 97.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.135 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 12.2 tpp85 -62.24 -46.24 89.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.849 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -64.89 -38.91 92.54 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.87 95.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.381 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.46 -42.93 98.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.491 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.51 -43.23 99.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.161 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.47 -36.81 83.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.961 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.21 9.93 60.07 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 20.9 t -137.51 139.02 40.27 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 117.001 0.401 . . . . 0.0 110.467 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.414 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -62.79 -41.4 99.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.437 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -141.83 156.57 45.54 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.834 0.35 . . . . 0.0 110.114 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 47.28 87.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.027 0.441 . . . . 0.0 112.039 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' H ' ' A' ' 7' ' ' GLU . 9.9 t -93.49 -150.8 0.29 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.648 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.482 ' N ' ' OG1' ' A' ' 5' ' ' THR . 83.3 tt0 -69.66 -40.72 76.28 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.779 -179.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.497 ' H ' HG23 ' A' ' 5' ' ' THR . 32.0 tt0 -51.56 -62.86 1.36 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -49.02 -53.75 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -176.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 6' ' ' GLU . 12.6 pt -54.54 -43.83 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.333 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.45 84.91 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.356 -0.538 . . . . 0.0 109.899 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.2 -46.39 85.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.802 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -43.56 98.51 Favored 'General case' 0 CA--C 1.533 0.288 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.34 -44.14 75.64 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.298 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.23 -55.28 33.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.538 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.31 -40.99 79.02 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.839 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -49.92 75.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.7 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.3 t -57.93 -32.54 67.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.948 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.4 mt -69.92 -45.01 68.46 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.987 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.538 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 43.4 m-85 -73.27 -44.35 59.44 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.801 -0.359 . . . . 0.0 111.569 -178.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 44.5 t0 -64.01 70.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.902 -179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.9 mmmt -58.57 -49.17 78.41 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.038 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' OD2' ' OD2' ' A' ' 24' ' ' ASP . 41.8 t0 -60.49 -18.24 50.43 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.409 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 58.96 40.54 95.52 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.539 178.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.59 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -99.87 -7.89 24.75 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.213 0.507 . . . . 0.0 110.783 179.632 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.455 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 101.87 10.64 39.66 Favored Glycine 0 N--CA 1.467 0.757 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.5 p -141.33 150.99 43.2 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.8 mt -110.02 144.22 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 31' ' ' GLU . 2.9 t -138.43 164.49 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.186 0.517 . . . . 0.0 110.882 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 29' ' ' THR . 5.6 p -51.51 -42.7 61.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.887 -179.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -64.62 -44.62 89.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.453 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.631 ' H ' HG23 ' A' ' 28' ' ' THR . 88.4 mt-10 -63.52 -62.38 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.196 0.522 . . . . 0.0 110.244 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.681 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -62.36 -43.6 98.44 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.497 179.361 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.681 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -54.51 -42.63 76.54 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.314 -1.114 . . . . 0.0 110.314 -178.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.4 m -59.56 -47.87 83.86 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.17 -41.31 86.24 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-O 120.823 0.344 . . . . 0.0 110.466 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.481 ' CE ' ' OE1' ' A' ' 41' ' ' GLN . 59.0 mmm -63.78 -40.77 97.46 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.027 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -68.81 -50.58 48.9 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.116 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.1 t -52.21 -33.05 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.628 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.4 mt -69.55 -18.69 63.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.206 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.25 24.72 10.04 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.481 ' OE1' ' CE ' ' A' ' 36' ' ' MET . 88.6 mt-30 -82.22 126.77 32.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.562 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.432 ' CB ' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -50.13 179.39 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.433 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.162 -178.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 42' ' ' ASN . 26.6 Cg_exo -61.41 100.79 0.19 Allowed 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.265 1.977 . . . . 0.0 111.645 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.7 t -148.1 2.42 0.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.926 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.82 -16.08 4.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.285 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.14 -42.6 62.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.392 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 47' ' ' GLU . 15.7 mp0 -53.32 -49.33 67.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.73 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.644 ' HG ' HD21 ' A' ' 32' ' ' LEU . 4.6 mm? -63.36 -48.59 77.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.549 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -47.64 -48.53 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.756 -179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -70.43 -39.28 74.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.44 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.438 ' O ' HG22 ' A' ' 55' ' ' VAL . 40.9 mtt -65.34 -42.77 92.55 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.8 -44.92 98.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.113 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -62.2 -32.21 72.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.714 -179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -77.99 -56.44 4.48 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 51' ' ' MET . 16.1 m -64.43 -34.96 72.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.586 ' CG ' ' H ' ' A' ' 59' ' ' GLY . 60.9 t0 -40.62 130.03 2.46 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.451 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . -85.76 -39.91 16.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.808 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -87.3 -20.61 26.58 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.745 0.307 . . . . 0.0 111.337 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.586 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 80.75 17.46 72.83 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 -178.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.51 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 99.3 m-20 -71.57 -19.95 62.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.977 0.418 . . . . 0.0 110.316 -179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.58 7.02 60.6 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.1 p -129.74 161.19 31.24 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.657 0.265 . . . . 0.0 110.684 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.7 mm -105.33 124.66 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -91.56 -176.94 4.66 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 121.157 0.503 . . . . 0.0 111.253 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -52.66 -46.05 96.18 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.372 -179.134 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 65' ' ' PHE . 2.1 Cg_endo -75.0 -50.49 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.783 2.322 . . . . 0.0 113.085 -176.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -53.79 -41.72 67.55 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.464 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -71.71 -65.71 0.73 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.505 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.3 tt -47.87 -26.22 1.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.571 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 79.8 m -84.92 -71.3 0.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.465 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 13.3 ptp -47.78 -17.62 0.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.894 -178.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 8.7 ptm -90.51 -31.32 16.8 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.786 0.326 . . . . 0.0 111.425 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.97 -2.41 15.18 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.982 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -107.56 -1.73 20.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.908 0.385 . . . . 0.0 110.594 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.465 ' NZ ' ' O ' ' A' ' 71' ' ' MET . 41.7 mmtm -73.62 -37.48 65.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.042 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.2 mtm -67.23 -90.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.881 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.5 pttp . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.11 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.5 p -58.6 -60.46 3.78 Favored 'General case' 0 C--N 1.334 -0.097 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.628 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 50' ' ' LEU . . . 38.16 -114.03 0.29 Allowed Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . 34.02 -105.5 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.03 95.52 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.112 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' B' ' 47' ' ' GLY . 58.0 tp -63.01 -43.94 97.36 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.252 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 71.9 m -64.65 -52.31 58.0 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.718 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -47.77 84.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.142 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -65.94 -37.73 86.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.245 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.74 -34.97 75.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.079 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.59 -49.79 73.86 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.665 ' N ' HD12 ' B' ' 56' ' ' ILE . 2.2 mp -65.28 -43.9 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 110.719 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.27 -45.51 94.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.692 -179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.51 79.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.594 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -44.22 92.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.136 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -62.16 -45.99 90.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.558 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -65.94 -40.55 91.48 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.14 -41.41 99.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.46 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -63.49 -45.69 89.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 63.1 mt -63.4 -42.99 98.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.922 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 95.7 mtp -68.14 -37.63 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.088 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.65 12.5 77.66 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 34.9 p -154.15 161.84 41.59 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.829 0.347 . . . . 0.0 110.705 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.952 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -78.71 148.19 33.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.431 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.435 ' O ' ' O ' ' A' ' 4' ' ' LEU . 3.0 pt20 -48.38 171.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.477 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 3' ' ' GLN . 1.3 tp -47.92 179.89 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.018 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 7' ' ' GLU . 1.2 t -174.48 175.57 2.53 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.528 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -55.3 -53.49 55.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.105 0.479 . . . . 0.0 110.203 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.438 ' N ' HG23 ' A' ' 5' ' ' THR . 26.9 tt0 -45.71 -57.65 4.08 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.862 0.363 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -44.36 -57.68 3.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -176.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 10' ' ' ALA . 13.5 pt -56.95 -47.09 83.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.675 -178.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -61.71 -40.03 93.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 0.0 109.979 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HG2' HH22 ' B' ' 60' ' ' ARG . 83.6 tt0 -57.93 -45.25 86.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.808 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -65.64 -40.21 92.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.796 0.332 . . . . 0.0 110.179 179.745 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.3 -40.69 74.75 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.099 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.9 -54.67 31.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.915 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.44 -39.62 76.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.046 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -50.06 75.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.678 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.6 t -57.26 -33.46 67.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.148 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.8 mt -68.51 -42.53 78.44 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.725 -0.39 . . . . 0.0 111.615 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.0 m-85 -71.87 -52.65 16.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.771 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.468 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.5 t0 -59.85 77.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.599 -179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -60.99 -52.26 65.76 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.288 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.542 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 16.9 p-10 -61.99 -18.72 61.42 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 60.41 41.66 98.63 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.113 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -89.81 -4.06 57.81 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.005 0.402 . . . . 0.0 111.124 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.43 1.48 47.19 Favored Glycine 0 N--CA 1.467 0.722 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 p -140.68 170.51 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.6 mt -114.77 134.67 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.559 HG22 ' N ' ' A' ' 29' ' ' THR . 51.4 m -110.05 164.35 12.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.107 0.48 . . . . 0.0 111.175 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.559 ' N ' HG22 ' A' ' 28' ' ' THR . 7.3 m -61.13 -42.16 98.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.793 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -70.39 -41.03 73.57 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.767 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -54.71 -60.04 3.9 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.8 tp -58.58 -47.56 83.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.791 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.01 -43.52 31.64 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.6 m -61.31 -47.06 87.65 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.18 -35.78 68.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.978 0.418 . . . . 0.0 110.631 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.632 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 42.6 mmm -67.98 -47.29 68.95 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.677 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttt85 -67.34 -47.47 70.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.792 0.33 . . . . 0.0 110.474 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.8 p -52.46 -25.27 9.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.713 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.0 mt -83.27 -11.72 57.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.88 19.37 22.19 Favored Glycine 0 N--CA 1.465 0.628 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -84.12 122.93 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.003 0.43 . . . . 0.0 110.756 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -42.02 148.6 0.47 Allowed Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.575 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -42.17 120.04 1.45 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.167 1.911 . . . . 0.0 111.804 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -150.7 17.28 0.79 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.423 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -53.52 -19.58 3.9 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.285 0.564 . . . . 0.0 110.401 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.61 -41.04 55.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.206 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -57.26 -43.9 83.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.595 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.7 mp -62.02 -52.3 64.54 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.033 179.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -47.62 -42.71 24.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.873 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -79.03 -41.43 28.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.661 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.635 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 14.6 mmt -62.65 -50.33 71.65 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.992 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 63' ' ' ILE . 63.2 mt -64.32 -43.92 97.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.947 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -46.84 -17.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.187 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 52' ' ' ILE . 79.6 mm-40 -104.59 -54.96 2.42 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.645 -179.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 m -89.53 34.96 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.642 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 14.4 t70 -85.93 -24.41 26.58 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.884 0.373 . . . . 0.0 111.078 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 56' ' ' ASP . . . 82.58 -61.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -96.46 -4.57 41.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.47 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.566 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 69.28 16.78 71.56 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 98.0 m-20 -75.26 -23.51 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.954 0.407 . . . . 0.0 110.577 -179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.586 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 100.05 -0.27 56.16 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.106 -0.798 . . . . 0.0 111.106 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.569 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 5.6 p -121.97 155.12 36.21 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.975 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.45 HD11 HG23 ' A' ' 52' ' ' ILE . 18.3 mm -103.7 121.48 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.087 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -82.52 174.7 10.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.4 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 2.7 m-85 -51.24 -65.98 0.8 Allowed Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.138 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 65' ' ' PHE . 16.4 Cg_endo -56.06 -44.8 43.47 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.685 2.256 . . . . 0.0 113.203 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -49.55 -53.64 22.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.697 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -61.25 -46.84 88.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.804 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.724 HD13 ' C ' ' A' ' 69' ' ' LEU . 2.3 tm? -51.95 -37.87 54.4 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.27 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.6 m -79.19 -70.02 0.53 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.0 ptp -49.77 -18.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.68 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -26.99 20.73 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.881 0.372 . . . . 0.0 111.364 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.97 -38.39 75.95 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.568 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -51.94 -63.64 1.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.34 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.1 ttmt 42.89 37.83 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.362 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.435 ' HB2' HE22 ' B' ' 53' ' ' GLN . 5.9 ttt 60.83 99.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.141 0.495 . . . . 0.0 110.424 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 117.967 -1.016 . . . . 0.0 110.228 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.432 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 72.5 p -84.28 165.11 18.58 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.568 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.5 166.5 36.29 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.335 -0.706 . . . . 0.0 111.335 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.635 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -62.02 -50.37 72.29 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.2 94.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.775 0.321 . . . . 0.0 111.157 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 50.3 tp -62.65 -41.8 99.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.335 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -59.27 -46.7 87.8 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.351 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -67.44 -46.54 72.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.582 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.435 HE22 ' HB2' ' A' ' 76' ' ' MET . 82.1 mt-30 -59.34 -44.83 92.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.454 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.88 97.12 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.032 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.632 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -68.31 -46.59 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.25 -44.22 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.414 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -63.99 -45.56 88.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.784 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.73 82.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.507 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.1 93.5 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.011 0.434 . . . . 0.0 110.026 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . 0.432 HH22 ' HG2' ' A' ' 11' ' ' GLU . 19.4 mmt85 -66.07 -39.68 90.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -65.08 -40.69 95.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.821 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.95 -47.67 82.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.43 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.77 -41.06 96.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.568 179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 40.6 tp -61.61 -45.91 92.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.16 -36.43 79.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.894 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.21 3.58 72.48 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 11.5 t 43.18 82.24 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.952 0.406 . . . . 0.0 110.589 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.734 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -148.77 133.53 17.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.79 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -87.07 121.36 29.41 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.311 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 5' ' ' THR . 6.4 tt -64.6 166.31 8.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.072 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.558 ' N ' HD23 ' A' ' 4' ' ' LEU . 7.5 t -169.41 167.65 9.88 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 120.787 0.327 . . . . 0.0 110.526 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.409 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 81.4 tt0 -46.35 -57.22 4.82 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 121.121 0.486 . . . . 0.0 110.123 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -43.59 -56.19 3.85 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.178 -0.326 . . . . 0.0 110.468 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -41.92 -58.84 1.91 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -177.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.432 HG13 ' H ' ' A' ' 10' ' ' ALA . 10.3 pt -58.6 -49.48 82.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 C-N-CA 119.571 -0.851 . . . . 0.0 111.196 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -58.74 -37.05 75.33 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -59.47 -44.82 92.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.179 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -63.27 -43.93 96.54 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.011 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -60.44 -45.53 93.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.368 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -56.01 -54.31 46.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.027 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.69 -45.96 88.32 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.315 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.14 -49.74 74.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.6 t -58.45 -37.68 75.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.455 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.94 -41.43 97.95 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.19 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 62.6 m-85 -73.11 -41.11 64.37 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.912 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.531 ' OD2' ' N ' ' A' ' 26' ' ' THR . 46.2 t0 -66.96 68.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.072 -179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.8 mmmt -57.65 -47.61 81.78 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.698 -179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 22' ' ' ASP . 20.1 t0 -57.42 -16.11 8.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.89 36.98 56.82 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.195 178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -98.13 -2.53 39.78 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.931 0.366 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.86 4.75 51.41 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.531 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 4.9 p -143.69 156.68 44.61 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 122.553 -0.38 . . . . 0.0 110.095 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 69.5 mt -105.05 127.36 59.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.607 HG22 ' N ' ' A' ' 29' ' ' THR . 61.2 m -108.38 164.82 12.0 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.607 ' N ' HG22 ' A' ' 28' ' ' THR . 40.0 p -54.76 -43.48 72.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.693 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.438 ' H ' HG22 ' A' ' 28' ' ' THR . 9.2 mtpm? -67.4 -40.92 85.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.713 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.09 -57.43 12.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.086 0.47 . . . . 0.0 109.877 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.15 -48.77 80.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.747 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.13 -44.11 26.0 Favored Glycine 0 CA--C 1.519 0.309 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.1 m -59.71 -49.27 78.4 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.98 -41.79 90.45 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.099 0 CA-C-O 120.629 0.252 . . . . 0.0 110.855 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.427 ' HA ' HD12 ' A' ' 39' ' ' LEU . 61.3 mmm -63.36 -34.25 77.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.353 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -80.6 -50.35 10.09 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.2 m -48.84 -18.53 0.28 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.759 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 36' ' ' MET . 39.9 mt -68.13 -14.12 62.74 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.369 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.14 39.07 2.53 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.68 -0.568 . . . . 0.0 111.68 179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 42' ' ' ASN . 46.0 tt0 -144.6 171.84 13.81 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.579 -0.365 . . . . 0.0 110.628 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.539 ' N ' ' ND2' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -116.44 77.72 7.94 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.232 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -79.48 177.26 8.71 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 122.9 2.4 . . . . 0.0 111.657 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.9 m -120.59 148.78 43.43 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 110.599 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 46' ' ' ALA . 6.0 pt-20 -70.12 -56.09 7.77 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.18 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' N ' ' CG ' ' A' ' 45' ' ' GLU . . . -39.68 -43.64 1.4 Allowed 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -57.56 -63.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.045 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.1 mp -57.27 -50.36 73.16 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' O ' ' OD1' ' A' ' 53' ' ' ASN . 26.3 mt-30 -50.56 -26.84 5.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.513 179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -80.52 -42.76 21.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.846 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.481 ' O ' HG22 ' A' ' 55' ' ' VAL . 26.4 mmt -62.32 -45.53 92.81 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.623 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.467 HG23 HD11 ' A' ' 63' ' ' ILE . 20.6 mt -66.54 -44.92 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' A' ' 49' ' ' GLN . 7.4 m120 -60.41 -37.54 81.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.735 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.81 -40.07 95.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.145 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.894 HG23 ' H ' ' A' ' 56' ' ' ASP . 29.5 m -98.33 -67.27 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 119.483 -0.294 . . . . 0.0 111.709 -179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.894 ' H ' HG23 ' A' ' 55' ' ' VAL . 10.8 p-10 30.67 -138.07 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.065 0.228 . . . . 0.0 111.122 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -173.2 -71.55 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.715 0.293 . . . . 0.0 110.78 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -86.65 -3.47 59.04 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.071 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.47 7.98 85.61 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 110.432 -1.067 . . . . 0.0 110.432 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -71.82 -16.11 62.16 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.993 0.425 . . . . 0.0 110.386 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.01 17.67 64.71 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.2 p -127.27 153.67 45.86 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.001 0.429 . . . . 0.0 110.812 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.467 HD11 HG23 ' A' ' 52' ' ' ILE . 20.6 mm -107.85 128.61 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.536 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -96.94 175.67 6.25 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 121.416 0.627 . . . . 0.0 110.895 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.624 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -47.25 -56.03 13.84 Favored Pre-proline 0 C--O 1.243 0.751 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.703 -179.564 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 41.6 Cg_endo -69.96 -41.6 3.88 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.148 1.899 . . . . 0.0 112.67 -178.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -58.48 -44.0 89.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.341 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.479 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 19.7 t80 -61.44 -50.08 74.24 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.444 0.64 . . . . 0.0 109.999 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.94 -51.42 68.17 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.289 -0.565 . . . . 0.0 110.96 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 83.7 m -56.63 -49.43 74.99 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 122.16 -0.338 . . . . 0.0 111.568 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.4 ptp -63.39 -23.82 67.57 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.474 -0.49 . . . . 0.0 111.878 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.417 ' SD ' ' C ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -82.31 -26.41 33.07 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.77 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.71 25.22 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.247 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -95.37 -9.18 33.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.532 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -173.26 93.18 0.1 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.392 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.43 ' CG ' ' N ' ' A' ' 77' ' ' LYS . 13.5 ptp -101.81 -42.13 6.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.12 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' A' ' 76' ' ' MET . 97.6 mttt . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 117.85 -1.071 . . . . 0.0 110.223 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 70.6 p 41.1 33.99 0.27 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.843 0.354 . . . . 0.0 110.631 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -129.7 -57.31 0.1 Allowed Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.98 92.09 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.31 94.82 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.842 0.353 . . . . 0.0 111.166 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.27 -43.17 98.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.302 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -60.3 -46.43 89.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.35 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -66.89 -46.58 74.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.403 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -61.1 -44.89 96.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.434 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.38 93.42 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.266 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.77 90.65 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.94 -44.13 97.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.635 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.05 -48.42 80.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . 0.403 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -64.76 -38.6 91.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.519 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.58 -39.1 92.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.025 0.441 . . . . 0.0 109.907 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -63.39 -45.38 91.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.778 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -65.02 -38.93 92.52 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.74 -41.62 98.0 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.514 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.9 -44.25 96.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.652 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.97 -44.13 97.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.0 mmm -67.9 -36.47 80.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.088 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.49 12.0 82.44 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 49.3 m -60.57 -42.04 95.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.057 0.456 . . . . 0.0 110.174 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.89 -1.053 . . . . 0.0 110.674 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 55.09 33.55 20.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.362 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.613 ' H ' ' CD ' ' A' ' 3' ' ' GLN . 0.1 OUTLIER -52.91 174.77 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.648 179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.41 ' O ' ' OG1' ' A' ' 5' ' ' THR . 5.8 mt -60.88 -75.11 0.07 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.571 HG22 ' N ' ' A' ' 6' ' ' GLU . 94.2 m -168.38 163.31 12.76 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.459 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.571 ' N ' HG22 ' A' ' 5' ' ' THR . 44.0 tt0 -47.57 -59.96 2.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.39 0.614 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.49 -60.97 1.88 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.556 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -44.29 -60.36 1.95 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 10' ' ' ALA . 16.0 pt -55.51 -49.8 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 119.811 -0.756 . . . . 0.0 110.784 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' N ' HG13 ' A' ' 9' ' ' ILE . . . -58.78 -29.45 66.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -66.12 -46.85 76.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.208 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.491 ' CZ ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -63.26 -44.63 94.59 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.183 -179.362 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -57.2 -47.86 80.21 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.55 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -56.99 -56.28 23.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.995 0.426 . . . . 0.0 110.367 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -58.65 -42.67 88.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.252 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.89 -51.7 68.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.836 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 t -56.39 -35.71 68.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.3 mt -66.5 -43.16 86.07 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.584 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.8 m-85 -69.68 -52.9 21.57 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.715 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 26' ' ' THR . 45.8 t0 -59.86 76.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.46 -0.496 . . . . 0.0 110.941 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.4 mmmt -61.6 -52.97 62.21 Favored 'General case' 0 C--N 1.334 -0.099 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.293 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' OD2' ' OE2' ' A' ' 31' ' ' GLU . 4.6 m-20 -59.02 -19.17 41.33 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.63 41.7 99.78 Favored Glycine 0 CA--C 1.525 0.671 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.817 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -95.81 -2.26 47.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.813 0.306 . . . . 0.0 111.249 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.74 8.48 55.75 Favored Glycine 0 N--CA 1.468 0.772 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.429 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 12.6 p -141.48 169.78 16.96 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 88.9 mt -119.56 142.98 32.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.618 HG22 ' N ' ' A' ' 29' ' ' THR . 96.4 m -127.97 165.22 20.68 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.065 0.459 . . . . 0.0 111.226 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.618 ' N ' HG22 ' A' ' 28' ' ' THR . 40.2 p -54.5 -44.11 72.41 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.579 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -67.6 -41.81 83.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.476 ' HB2' ' H ' ' A' ' 28' ' ' THR . 55.7 mt-10 -60.2 -63.33 1.34 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.171 0.51 . . . . 0.0 109.989 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -61.85 -44.42 96.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.559 179.079 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.721 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -53.28 -43.55 64.65 Favored Glycine 0 C--N 1.321 -0.261 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 -178.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.4 m -60.85 -47.24 87.25 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.52 -40.68 79.57 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.132 0 CA-C-O 120.656 0.265 . . . . 0.0 111.012 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 40.5 mtp -65.59 -38.75 90.38 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.298 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -73.22 -50.85 20.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.776 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 m -51.06 -32.2 21.2 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.785 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.9 mt -70.16 -13.17 62.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.233 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.73 24.37 38.93 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 112.147 -0.381 . . . . 0.0 112.147 179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -91.58 144.35 25.63 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.999 0.4 . . . . 0.0 110.651 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -42.76 153.85 0.31 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.464 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.75 125.19 14.93 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.353 2.035 . . . . 0.0 111.633 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.428 ' OG1' ' OE1' ' A' ' 47' ' ' GLU . 10.5 t -156.98 14.48 0.27 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.442 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -55.32 -19.06 7.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.207 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.84 -44.18 50.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.153 179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.428 ' OE1' ' OG1' ' A' ' 44' ' ' THR . 86.0 mt-10 -54.83 -50.53 68.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.103 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.658 ' HG ' HD21 ' A' ' 32' ' ' LEU . 4.6 mm? -61.27 -51.0 70.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.212 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -44.87 -44.25 9.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.735 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -71.37 -38.42 71.57 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.027 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.421 ' O ' HG22 ' A' ' 55' ' ' VAL . 23.6 mmt -70.45 -48.28 56.64 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.418 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.1 mt -61.1 -42.92 95.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -58.37 -16.31 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.881 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' C ' ' H ' ' A' ' 56' ' ' ASP . 41.1 tt0 -97.83 -59.83 1.69 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.565 -179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 51' ' ' MET . 24.2 m -62.46 4.72 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.558 ' OD2' ' N ' ' A' ' 61' ' ' GLY . 10.8 t0 -79.7 121.71 25.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.679 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.39 -48.01 62.49 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.243 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -90.74 -8.2 50.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.422 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 75.27 25.41 68.53 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.064 -1.215 . . . . 0.0 110.064 -179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -79.92 -10.63 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.859 0.362 . . . . 0.0 110.551 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.558 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 80.04 18.25 72.65 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.1 p -132.03 158.45 41.51 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.896 0.379 . . . . 0.0 111.011 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.7 mm -104.66 120.03 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.294 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -81.69 176.3 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.196 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -52.8 -61.56 4.56 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.977 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 15.5 Cg_endo -55.45 -48.16 22.0 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.529 2.153 . . . . 0.0 113.229 -176.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -54.98 -47.0 75.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.089 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -61.64 -64.39 0.96 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.13 0.491 . . . . 0.0 110.755 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tt -46.04 -26.8 0.79 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.575 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -85.01 -71.68 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 ptp -50.93 -17.82 0.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.618 -178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 72' ' ' MET . 2.7 ppp? -86.75 -28.59 22.94 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.72 17.28 0.72 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.527 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -84.34 8.81 14.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.957 0.408 . . . . 0.0 110.468 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -61.61 -171.03 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.029 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.6 mmm -82.24 -45.45 15.01 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.402 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.813 -1.089 . . . . 0.0 109.598 -179.702 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.474 -1.451 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 71.9 p 41.4 76.04 0.08 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.923 0.392 . . . . 0.0 110.486 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.84 114.26 0.6 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.01 99.18 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.74 89.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.89 0.376 . . . . 0.0 110.894 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.591 HD13 ' O ' ' B' ' 50' ' ' LEU . 0.2 OUTLIER -63.23 -42.69 99.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.53 0.681 . . . . 0.0 109.957 -179.703 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.0 m -55.13 -44.15 74.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.157 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -68.28 -46.81 69.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.52 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -61.18 -46.92 88.49 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.478 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.32 90.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.703 0.287 . . . . 0.0 111.197 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.5 -40.85 96.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.901 0.381 . . . . 0.0 110.812 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 86.7 mt -64.42 -44.12 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.59 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -60.72 -48.96 79.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.78 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.6 85.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.579 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.0 98.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.032 0.444 . . . . 0.0 110.148 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -45.17 91.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.625 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.74 -41.6 97.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.81 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.5 -46.02 91.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.436 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -63.05 -43.4 98.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.447 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.534 ' O ' HD13 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -61.68 -52.4 64.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.96 -178.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 80.8 mtp -67.66 -36.71 81.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.042 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.06 11.77 66.91 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 11.2 p -77.38 162.97 26.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.806 0.336 . . . . 0.0 110.678 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.796 179.885 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -68.66 137.52 54.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.25 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -96.34 145.35 25.68 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.314 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 5' ' ' THR . 1.5 tp -56.0 175.6 0.09 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.783 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.417 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 6.3 t -174.04 171.88 3.5 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.76 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -53.9 -50.12 67.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.186 0.517 . . . . 0.0 109.958 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -44.94 -58.97 2.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.261 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -44.41 -59.42 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -177.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 9' ' ' ILE . 9.7 pt -58.22 -49.99 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 119.37 -0.932 . . . . 0.0 110.728 -178.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.407 ' H ' HG13 ' A' ' 9' ' ' ILE . . . -57.63 -33.4 68.22 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -63.93 -45.5 88.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.091 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.53 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -61.93 -42.5 99.17 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.14 -179.426 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' C ' ' CD ' ' A' ' 13' ' ' LYS . 3.0 tmtt? -60.55 -46.98 88.17 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.255 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -55.63 -56.62 18.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.329 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -55.27 -46.46 76.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.935 0.397 . . . . 0.0 110.43 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.85 -50.4 72.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.992 178.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.3 t -58.34 -36.62 73.7 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.35 -43.19 95.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.373 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' LYS . 58.8 m-85 -69.01 -50.58 47.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.783 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 25' ' ' GLY . 36.4 t0 -60.83 82.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.609 -0.436 . . . . 0.0 110.63 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' PHE . 21.1 mmmt -66.55 -54.01 28.44 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.532 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 21.4 p-10 -60.84 -18.83 58.07 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -178.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 65.54 42.7 95.52 Favored Glycine 0 CA--C 1.524 0.655 0 CA-C-N 116.057 -0.519 . . . . 0.0 112.233 178.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.443 ' CG ' ' HG1' ' A' ' 26' ' ' THR . 33.7 p-10 -99.65 2.16 44.2 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.847 0.323 . . . . 0.0 111.179 179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' N ' ' OD2' ' A' ' 20' ' ' ASP . . . 91.49 11.55 60.7 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.443 ' HG1' ' CG ' ' A' ' 24' ' ' ASP . 0.8 OUTLIER -144.25 158.52 43.69 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.0 mt -110.42 134.58 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.595 HG22 ' N ' ' A' ' 29' ' ' THR . 95.2 m -113.35 164.71 13.23 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.189 0.518 . . . . 0.0 111.501 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.595 ' N ' HG22 ' A' ' 28' ' ' THR . 31.7 p -57.05 -45.84 82.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.43 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' H ' HG22 ' A' ' 28' ' ' THR . 51.0 mtpt -68.81 -43.64 75.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.77 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.428 ' OE2' ' OD1' ' A' ' 22' ' ' ASP . 85.1 mt-10 -53.91 -54.89 32.4 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.16 -46.58 89.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.639 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.54 -44.88 37.59 Favored Glycine 0 CA--C 1.518 0.225 0 N-CA-C 110.378 -1.089 . . . . 0.0 110.378 -179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.0 m -59.51 -46.96 87.33 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.38 -41.97 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 CA-C-O 120.818 0.342 . . . . 0.0 110.719 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.479 ' SD ' ' HB2' ' B' ' 55' ' ' ALA . 60.0 mmm -66.63 -39.71 88.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.508 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -74.3 -52.58 11.85 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.804 0.335 . . . . 0.0 110.851 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.6 m -50.52 -25.92 4.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.774 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 mt -88.0 -18.03 29.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.26 14.19 31.28 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.451 ' HG3' ' H ' ' A' ' 42' ' ' ASN . 21.1 tp60 -92.79 174.97 6.98 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.893 0.378 . . . . 0.0 110.794 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.451 ' H ' ' HG3' ' A' ' 41' ' ' GLN . 6.2 p30 -36.68 104.0 0.26 Allowed Pre-proline 0 CA--C 1.54 0.585 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.364 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.68 -16.86 23.61 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.355 2.037 . . . . 0.0 112.09 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.424 ' OG1' ' OE1' ' A' ' 47' ' ' GLU . 63.1 p -51.8 105.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.672 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 48' ' ' LEU . 68.2 tt0 -72.58 -55.76 6.4 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.397 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' GLU . . . -38.44 -36.98 0.27 Allowed 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.465 0.65 . . . . 0.0 109.438 -178.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' OE1' ' OG1' ' A' ' 44' ' ' THR . 85.1 tt0 -60.25 -53.06 62.14 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.481 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' A' ' 45' ' ' GLU . 7.3 mp -59.88 -51.97 67.44 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -46.79 -26.22 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.421 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -79.4 -41.13 28.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.256 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.482 ' O ' HG22 ' A' ' 55' ' ' VAL . 64.4 mtt -61.37 -48.41 81.37 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.694 0.283 . . . . 0.0 110.836 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.411 HD12 HG22 ' A' ' 29' ' ' THR . 2.9 mt -66.13 -43.91 91.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.473 ' O ' ' OD1' ' A' ' 56' ' ' ASP . 95.1 m-20 -65.36 -27.24 68.43 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.892 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -79.99 -48.88 12.65 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.268 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 51' ' ' MET . 30.5 m -71.11 -26.26 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.473 ' OD1' ' O ' ' A' ' 53' ' ' ASN . 51.9 p-10 -86.84 74.21 9.82 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.924 0.392 . . . . 0.0 110.927 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.79 -45.62 20.59 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.767 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.58 -4.77 28.88 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.14 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.45 78.9 1.01 Allowed Glycine 0 CA--C 1.522 0.53 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 30.3 p30 -114.61 -22.67 9.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.446 -0.377 . . . . 0.0 111.344 179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.649 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 41.59 102.41 0.01 OUTLIER Glycine 0 C--N 1.344 1.014 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 -178.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.649 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 23.3 p 96.91 166.06 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.426 0 O-C-N 124.49 0.759 . . . . 0.0 110.803 179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.4 mm -109.69 119.18 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.009 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -86.38 177.21 7.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.181 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.552 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -54.18 -52.8 65.54 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.31 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 21.2 Cg_endo -60.34 -54.23 2.32 Favored 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.34 2.027 . . . . 0.0 113.597 -177.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -50.78 -50.09 56.77 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -60.49 -48.09 83.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.426 0.632 . . . . 0.0 110.627 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.53 HD12 ' CD2' ' A' ' 12' ' ' PHE . 3.1 tt -56.87 -25.57 56.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.589 179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.6 m -86.91 -70.0 0.64 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.5 ptp -46.91 -18.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.591 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.424 ' C ' ' SD ' ' A' ' 72' ' ' MET . 3.8 ppp? -86.6 -27.42 23.88 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.847 0.356 . . . . 0.0 111.43 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.5 16.63 3.04 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.565 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -101.12 3.43 41.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.952 0.406 . . . . 0.0 110.432 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -126.65 129.66 48.93 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.704 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 78.2 mtm -100.35 108.94 21.09 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.557 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.25 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.25 -43.7 0.29 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 122.768 -0.254 . . . . 0.0 110.433 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.18 11.09 60.21 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.357 -1.097 . . . . 0.0 110.357 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.68 -45.86 92.55 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.42 96.61 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.87 0.367 . . . . 0.0 110.855 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.63 -40.87 97.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.246 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.3 t -60.09 -45.13 93.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.228 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -63.79 -45.78 88.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.564 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.99 -42.78 94.23 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.41 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.64 91.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.173 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.479 ' HB2' ' SD ' ' A' ' 36' ' ' MET . . . -62.94 -39.86 95.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.324 . . . . 0.0 110.7 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -44.25 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.395 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.27 -49.09 77.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.79 -39.79 91.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.696 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.37 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.981 0.42 . . . . 0.0 110.018 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -62.63 -44.29 96.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.728 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -63.2 -42.22 99.29 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.51 89.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.523 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.66 -43.08 97.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.384 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.21 -44.65 96.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 93.8 mtp -67.86 -37.56 82.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.031 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.12 8.76 86.97 Favored Glycine 0 CA--C 1.532 1.109 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t 55.28 53.47 9.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.09 0.472 . . . . 0.0 110.404 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.864 -179.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 53.26 173.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.489 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.463 ' O ' ' O ' ' A' ' 4' ' ' LEU . 6.2 pt20 -147.69 94.23 2.33 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.424 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 3' ' ' GLN . 1.7 tp 42.73 -171.6 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.566 -179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.426 ' H ' ' HG ' ' A' ' 4' ' ' LEU . 3.8 t 179.99 179.05 0.56 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.354 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' N ' ' OG1' ' A' ' 5' ' ' THR . 79.1 tt0 -62.51 -44.21 96.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.083 0.468 . . . . 0.0 110.311 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -46.25 -61.0 1.97 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.232 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' NE2' ' SD ' ' A' ' 72' ' ' MET . 13.7 mm100 -46.95 -61.4 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.8 pt -54.73 -49.28 69.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 C-N-CA 119.596 -0.842 . . . . 0.0 110.606 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.3 -38.8 84.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.051 0.453 . . . . 0.0 110.261 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -57.02 -49.54 75.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.111 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.572 ' CD2' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -61.63 -46.19 90.87 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.013 -179.703 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -56.72 -43.76 80.93 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 123.401 0.438 . . . . 0.0 110.696 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -66.28 -56.79 9.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.531 ' HB1' ' CE2' ' A' ' 19' ' ' PHE . . . -57.79 -39.71 78.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.914 0.387 . . . . 0.0 110.386 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -56.66 -53.59 55.87 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.8 t -67.34 -21.88 65.62 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.411 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.8 mt -74.18 -43.9 55.48 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.612 -0.435 . . . . 0.0 111.638 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.558 ' O ' ' N ' ' A' ' 21' ' ' LYS . 35.7 m-85 -71.89 -58.54 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.639 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 22' ' ' ASP . 38.0 t0 -52.66 84.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.439 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 19' ' ' PHE . 20.9 mmtp -60.41 -53.5 56.84 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.451 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 55.3 p30 -64.96 -15.97 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.127 0.489 . . . . 0.0 109.893 -179.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' N ' ' OD1' ' A' ' 22' ' ' ASP . . . 57.35 42.49 93.68 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.438 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -82.64 -14.68 54.29 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.988 0.394 . . . . 0.0 111.111 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.23 -12.54 14.19 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 p -127.18 159.21 34.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.735 0.303 . . . . 0.0 110.209 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.5 mt -102.08 138.55 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.671 HG22 ' N ' ' A' ' 29' ' ' THR . 46.6 m -123.33 173.57 7.88 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.176 0.512 . . . . 0.0 111.41 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.671 ' N ' HG22 ' A' ' 28' ' ' THR . 77.3 p -66.47 -39.02 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.446 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.19 -42.64 65.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.912 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -59.08 -58.25 9.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.056 0.455 . . . . 0.0 109.835 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.8 -43.85 97.71 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.349 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.75 -38.76 54.06 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -60.88 -50.37 73.69 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.1 t -62.54 -41.37 91.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.244 0 CA-C-O 121.088 0.471 . . . . 0.0 111.033 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.507 ' SD ' HD21 ' A' ' 48' ' ' LEU . 51.6 mtp -67.78 -45.45 74.78 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.613 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -66.3 -50.73 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.996 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -56.45 -22.41 31.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 58.7 mt -87.37 -17.82 31.46 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.09 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.91 5.31 47.56 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -75.5 157.52 33.88 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.57 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -34.48 96.51 0.1 Allowed Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.472 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.564 ' O ' ' N ' ' A' ' 45' ' ' GLU . 31.8 Cg_exo -56.0 -8.75 2.53 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.401 2.067 . . . . 0.0 111.87 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 46' ' ' ALA . 24.0 p -48.39 83.17 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.283 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' PRO . 17.5 pt-20 -57.22 -7.68 0.59 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.332 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 44' ' ' THR . . . -81.36 -38.99 25.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.284 178.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -58.51 -44.41 89.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.73 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 48' ' ' LEU . 6.3 mp -66.08 -54.1 29.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.752 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 76.7 mt-30 -47.36 -37.72 11.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.541 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -74.8 -43.27 55.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.341 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.0 mmt -64.43 -45.66 86.56 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.917 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.435 HG23 HD11 ' A' ' 63' ' ' ILE . 7.9 mt -66.3 -41.97 89.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 49' ' ' GLN . 77.0 m-20 -56.27 -39.24 72.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.639 -179.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -78.56 -44.96 22.92 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.782 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 68.8 t -66.8 -43.89 89.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.784 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.582 ' OD2' ' N ' ' A' ' 60' ' ' ASN . 36.3 t0 -45.59 122.21 3.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.717 -179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.29 -33.9 20.5 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.101 -178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -86.87 -7.94 57.74 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.589 0.233 . . . . 0.0 111.39 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.72 24.81 71.46 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.582 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 45.7 p-10 -84.6 -21.36 30.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.62 -179.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.72 -5.57 54.2 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 43.9 p -127.69 163.6 23.94 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.667 0.27 . . . . 0.0 110.752 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.435 HD11 HG23 ' A' ' 52' ' ' ILE . 18.2 mm -107.02 116.81 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.324 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.44 179.62 1.6 Allowed 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.026 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.669 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -73.25 -52.92 5.06 Favored Pre-proline 0 C--O 1.245 0.816 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.14 -179.249 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 37.9 Cg_endo -65.53 -33.37 46.38 Favored 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 121.791 1.661 . . . . 0.0 112.593 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -60.74 -53.65 54.78 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.601 -0.44 . . . . 0.0 112.008 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -58.6 -53.62 56.26 Favored 'General case' 0 C--O 1.25 1.128 0 CA-C-O 121.629 0.728 . . . . 0.0 110.157 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 4.3 tt -63.37 -41.66 98.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.626 179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 66' ' ' PRO . 2.0 m -46.74 -62.03 1.57 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.794 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.595 ' HG3' ' H ' ' A' ' 72' ' ' MET . 4.0 ptp -58.57 -68.8 0.23 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.504 -1.278 . . . . 0.0 109.45 -177.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.595 ' H ' ' HG3' ' A' ' 71' ' ' MET . 2.8 ppp? -48.13 -23.01 0.72 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.317 0.579 . . . . 0.0 109.903 -177.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 69' ' ' LEU . . . -136.49 66.22 1.49 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.762 -179.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' THR . 1.8 mtt-85 -58.33 -63.36 1.3 Allowed 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.855 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.35 163.59 15.29 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.556 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.417 ' HG3' ' H ' ' A' ' 77' ' ' LYS . 1.1 tpt 75.4 -151.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.663 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.417 ' H ' ' HG3' ' A' ' 76' ' ' MET . 68.7 mttm . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.26 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.487 0 N-CA-C 109.506 -1.437 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 42.5 p -66.24 -31.66 72.61 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.65 -29.12 1.17 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.68 89.07 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.52 -38.75 91.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 110.772 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.89 -42.71 99.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.259 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 68.3 m -59.56 -45.13 92.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.228 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -65.88 -44.11 86.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.637 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -64.44 -41.37 96.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.024 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.89 96.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.187 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.35 -41.88 88.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.48 -43.73 96.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.435 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -59.5 -48.77 80.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.766 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.04 87.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.677 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.11 95.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.045 0.45 . . . . 0.0 110.112 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -63.78 -44.92 91.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.409 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.37 -40.2 96.61 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.9 92.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.46 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -63.2 -47.11 83.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.84 -43.31 88.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 97.5 mmm -68.35 -37.25 80.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.036 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' B' ' 67' ' ' SER . . . 88.03 12.67 65.53 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 66' ' ' GLY . 27.6 t 53.21 168.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.918 0.39 . . . . 0.0 110.989 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.713 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 3' ' ' GLN . 64.5 t0 -62.7 135.57 57.43 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.925 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.45 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 15.0 pt20 -148.27 158.25 43.98 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.471 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 1.4 tp 78.01 179.64 0.13 Allowed 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.717 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 8' ' ' GLN . 7.2 t -171.9 168.48 6.0 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.631 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 43.2 tt0 -52.61 -51.41 60.06 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-O 121.577 0.704 . . . . 0.0 110.131 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 7' ' ' GLU . 1.4 mm-40 -45.73 -58.14 3.71 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.453 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.412 ' H ' HG23 ' A' ' 5' ' ' THR . 1.8 tp-100 -42.65 -54.76 3.86 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -176.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' A' ' 6' ' ' GLU . 10.0 pt -60.76 -48.28 89.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.344 -0.942 . . . . 0.0 110.695 -178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.61 -43.48 84.78 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -55.55 -42.09 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.191 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.549 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -62.77 -44.29 96.57 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -62.23 -45.62 92.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.32 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -54.03 -51.98 62.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.236 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' O ' ' CD2' ' A' ' 19' ' ' PHE . . . -57.94 -44.16 86.78 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.154 0.502 . . . . 0.0 110.371 179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -50.05 75.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.829 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.4 t -57.28 -36.01 70.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.304 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.22 -44.53 95.03 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.394 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD2' ' O ' ' A' ' 15' ' ' ALA . 56.1 m-85 -73.88 -39.41 63.94 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.608 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 65.3 t0 -66.69 62.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.07 -179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' PHE . 22.3 mmmt -55.92 -45.93 78.6 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.17 -16.79 35.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 55.49 35.72 62.22 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.895 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 p30 -98.5 -11.28 22.44 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.966 0.383 . . . . 0.0 111.364 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.12 7.44 30.82 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.71 151.47 40.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.4 mt -107.34 128.77 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.568 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 5.3 t -115.81 173.32 6.62 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.061 0.457 . . . . 0.0 110.995 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 p -55.58 -41.77 73.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.805 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.449 ' H ' HG23 ' A' ' 28' ' ' THR . 59.5 mttp -67.32 -42.19 84.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.768 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' A' ' 28' ' ' THR . 14.8 mt-10 -57.85 -64.71 0.81 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.933 0.397 . . . . 0.0 110.092 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 tp -62.97 -49.0 76.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.699 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.75 -45.64 24.57 Favored Glycine 0 CA--C 1.519 0.3 0 N-CA-C 110.044 -1.222 . . . . 0.0 110.044 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.7 m -60.22 -48.92 79.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.63 -40.25 85.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.1 mmm -65.25 -41.01 94.74 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.303 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -75.62 -49.37 18.68 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.88 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.4 m -50.48 -20.11 1.05 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.56 -9.98 59.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.184 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.55 30.93 23.07 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.254 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -94.49 136.69 34.51 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.98 0.419 . . . . 0.0 110.686 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.438 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.9 p30 -46.93 155.59 0.61 Allowed Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.283 -179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -46.97 123.89 8.0 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.098 1.866 . . . . 0.0 112.212 178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -167.13 16.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.12 179.81 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -70.57 -14.82 62.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.346 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.2 -43.43 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.241 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -55.7 -45.99 77.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.483 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.0 mm? -63.6 -47.07 82.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.745 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -48.54 -47.07 39.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.747 -179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -70.23 -36.5 74.55 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.209 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.523 ' SD ' ' HB2' ' B' ' 48' ' ' ALA . 14.3 mmt -67.94 -43.3 79.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.123 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.2 mt -62.53 -43.41 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -64.3 -35.51 81.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -73.74 -55.28 6.44 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.867 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 51' ' ' MET . 14.3 m -63.88 -20.02 25.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.628 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 19.8 t70 -53.04 135.95 36.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.974 0.416 . . . . 0.0 110.467 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.18 -45.1 70.82 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.431 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -101.02 9.32 42.34 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 111.552 0.205 . . . . 0.0 111.552 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 56' ' ' ASP . . . 61.93 20.43 60.01 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 109.978 -1.249 . . . . 0.0 109.978 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.421 ' N ' ' OD2' ' A' ' 56' ' ' ASP . 19.7 t-20 -91.08 -18.6 24.29 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.588 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.727 ' O ' ' OG1' ' A' ' 62' ' ' THR . . . 90.72 154.79 30.73 Favored Glycine 0 C--O 1.221 -0.697 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.727 ' OG1' ' O ' ' A' ' 61' ' ' GLY . 38.3 p 100.38 140.85 0.01 OUTLIER 'General case' 0 C--N 1.349 0.573 0 O-C-N 124.726 0.897 . . . . 0.0 110.971 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.8 mm -111.93 134.9 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.401 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -99.55 173.83 6.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.993 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.521 ' N ' ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -53.63 -53.46 56.93 Favored Pre-proline 0 CA--C 1.545 0.768 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.391 -179.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 65' ' ' PHE . 29.1 Cg_endo -62.78 -51.13 3.29 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.205 1.936 . . . . 0.0 112.942 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -59.38 -38.89 81.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.405 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 68' ' ' PHE . 19.6 t80 -58.62 -47.99 82.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.546 0.689 . . . . 0.0 109.958 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -61.29 -48.52 81.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.1 m -58.04 -49.85 75.47 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.661 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.7 ptp -64.38 -22.21 66.88 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.324 -0.55 . . . . 0.0 111.787 -178.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -85.49 -28.4 25.02 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.093 0.473 . . . . 0.0 110.706 179.207 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.23 24.98 0.75 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.444 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -77.3 -1.06 27.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.609 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 77' ' ' LYS . 75.0 tttt -89.09 32.71 0.81 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.506 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 78.2 mtm 48.07 -89.09 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.555 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 75' ' ' LYS . 22.6 pttp . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.456 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 72.4 p -133.72 161.69 34.01 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 120.969 0.414 . . . . 0.0 110.347 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.02 -14.38 60.77 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.523 ' HB2' ' SD ' ' A' ' 51' ' ' MET . . . -60.53 -45.41 93.95 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.38 99.35 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.898 0.38 . . . . 0.0 111.012 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 57.2 tp -63.51 -41.16 98.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.248 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 66.6 m -58.98 -45.12 91.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.426 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -64.37 -45.41 87.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.462 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -64.35 -40.4 95.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.365 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.29 93.43 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.611 0.243 . . . . 0.0 111.082 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.32 94.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.895 0.379 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.29 -43.61 97.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.473 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.98 -47.39 86.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.783 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.16 82.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.511 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.21 -40.79 96.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.985 0.421 . . . . 0.0 110.044 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -65.03 -41.04 95.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.892 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.01 -44.25 93.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.951 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.38 -41.21 93.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.432 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -64.47 -45.27 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.608 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.3 -45.35 93.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' MET . . . . . . . . . . . . . 3.5 tpt -67.77 -37.77 82.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.821 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.21 6.11 71.86 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.834 -0.506 . . . . 0.0 111.834 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 85.3 p -77.61 159.9 28.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.946 0.373 . . . . 0.0 110.736 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.706 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_