data_2jrt_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 2jrt _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 121.359 0.599 . . . . 61.0 109.79 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.5 pt20 -147.38 130.85 16.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.466 -0.788 . . . . 61.0 110.185 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.4 m -109.54 167.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.84 -0.618 . . . . 61.0 110.415 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.4 m -107.11 145.15 32.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.506 -0.315 . . . . 61.0 110.281 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.746 HD12 ' HD3' ' A' ' 43' ' ' LYS . 2.9 mm? -98.32 156.8 35.38 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.899 -0.408 . . . . 61.0 109.899 177.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.78 -16.02 41.29 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.037 1.825 . . . . 61.0 110.293 174.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.1 -25.05 63.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.616 -1.175 . . . . 61.0 110.431 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.14 2.03 51.4 Favored Glycine 0 N--CA 1.453 -0.175 0 N-CA-C 111.098 -0.801 . . . . 61.0 111.098 -173.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.451 ' C ' HD21 ' A' ' 14' ' ' LEU . 6.4 m -86.04 164.38 17.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.086 -0.557 . . . . 61.0 110.498 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.7 t -111.1 132.69 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.589 -0.522 . . . . 61.0 109.589 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' A' ' 14' ' ' LEU . 61.4 tp -119.09 96.86 5.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.97 0.414 . . . . 61.0 110.026 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.6 p -87.99 173.1 9.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.142 -0.481 . . . . 61.0 109.972 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -75.36 -1.26 22.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.265 0.555 . . . . 61.0 110.1 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.38 -14.12 17.72 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.489 -0.778 . . . . 61.0 110.598 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.99 -17.0 56.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.202 -0.453 . . . . 61.0 111.168 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.9 mt -54.19 137.21 58.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 61.0 111.06 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.16 157.63 33.99 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.23 2.62 . . . . 61.0 111.956 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.458 ' O ' HG23 ' A' ' 30' ' ' THR . 32.3 Cg_exo -58.6 152.33 56.44 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.76 2.307 . . . . 61.0 112.385 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -80.91 -24.4 38.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.193 -0.458 . . . . 61.0 110.341 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -80.78 -15.68 55.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.683 -0.689 . . . . 61.0 111.329 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 27' ' ' PRO . 3.7 t -72.9 137.68 45.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.248 0.546 . . . . 61.0 110.422 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -124.99 -23.51 4.23 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.279 0.561 . . . . 61.0 109.596 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -74.27 80.47 1.83 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.733 0.777 . . . . 61.0 109.05 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -78.92 97.75 6.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.065 -0.971 . . . . 61.0 112.167 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.9 m -78.56 165.84 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.621 -0.718 . . . . 61.0 109.973 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.02 77.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.041 0.386 . . . . 61.0 112.041 -175.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.5 m -64.54 -34.98 79.51 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.007 0.373 . . . . 61.0 112.007 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -71.86 -39.45 69.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 61.0 110.431 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -64.02 -41.58 97.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.059 -0.519 . . . . 61.0 109.974 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.7 -45.75 91.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.635 -0.711 . . . . 61.0 111.206 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.01 81.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 61.0 111.317 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.14 -49.38 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 61.0 111.39 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.528 HG23 ' HA ' ' A' ' 70' ' ' ARG . 13.6 p -67.93 -38.84 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.888 -0.325 . . . . 61.0 111.212 -176.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.746 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.8 mttt -62.93 -33.99 76.52 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.729 0.299 . . . . 61.0 110.233 177.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.31 -47.42 86.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 61.0 110.675 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.4 t -65.6 -45.58 91.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.157 -0.474 . . . . 61.0 110.833 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 42' ' ' VAL . 83.5 mt -61.38 -40.37 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.585 . . . . 61.0 111.527 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -84.94 -1.95 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.903 0.334 . . . . 61.0 111.903 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.73 22.35 62.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.552 -0.832 . . . . 61.0 112.595 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD21 ' HG ' ' A' ' 20' ' ' LEU . 35.7 tp -73.42 -46.39 48.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.15 -0.685 . . . . 61.0 109.15 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.1 pt -133.73 -179.59 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.825 -1.08 . . . . 61.0 108.647 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.6 t -109.29 155.48 21.1 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.322 -0.551 . . . . 61.0 110.265 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.7 tt0 -54.38 -43.89 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.065 -176.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -70.04 -20.09 63.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.406 . . . . 61.0 111.975 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 4.6 tp10 -78.28 -37.29 45.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.15 0.5 . . . . 61.0 109.81 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.83 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.806 -0.634 . . . . 61.0 110.471 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 66' ' ' PHE . 53.1 mt -61.11 -34.69 75.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.734 -0.666 . . . . 61.0 110.443 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.84 -54.48 18.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.323 -0.853 . . . . 61.0 111.544 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.7 ptp180 -77.07 -32.48 56.8 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.493 0.553 . . . . 61.0 112.493 -171.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -97.27 1.89 50.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.808 -0.357 . . . . 61.0 111.336 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.4 m 57.69 66.24 1.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.289 0.566 . . . . 61.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.476 HD21 ' HG2' ' A' ' 65' ' ' GLU . 62.4 mt -125.76 164.14 21.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.641 . . . . 61.0 111.115 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 18.4 m -103.72 162.19 13.29 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.117 -0.697 . . . . 61.0 109.117 172.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -67.27 -34.8 78.18 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.817 0.342 . . . . 61.0 110.694 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.77 -29.46 70.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.002 0.429 . . . . 61.0 110.653 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' HG2' HD21 ' A' ' 61' ' ' LEU . 19.1 tp10 -67.18 -51.65 50.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.761 -0.654 . . . . 61.0 109.349 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.527 ' HB2' HD23 ' A' ' 56' ' ' LEU . 57.5 t80 -60.59 -33.13 72.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.608 -0.724 . . . . 61.0 110.503 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.37 82.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.096 -0.502 . . . . 61.0 110.537 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.47 -44.92 77.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.09 -0.505 . . . . 61.0 110.051 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -56.64 -53.31 59.18 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.963 -0.562 . . . . 61.0 111.287 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.528 ' HA ' HG23 ' A' ' 42' ' ' VAL . 15.4 ptt180 -66.02 -27.79 68.38 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.062 -0.255 . . . . 61.0 111.468 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.2 m -79.8 -28.62 40.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.536 0.208 . . . . 61.0 111.212 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.19 -15.82 34.97 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.721 0.267 . . . . 61.0 111.721 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.7 t . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 120.793 0.33 . . . . 61.0 111.722 -178.384 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 111.24 0.089 . . . . 61.0 111.24 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.557 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.1 pt20 -148.7 145.15 27.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 61.0 110.92 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -131.45 160.05 42.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.043 -0.526 . . . . 61.0 110.719 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m -91.68 144.36 25.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.13 -0.486 . . . . 61.0 110.634 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.677 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.5 mm? -100.96 157.91 32.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 61.0 110.342 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.43 -17.91 43.89 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.238 1.959 . . . . 61.0 110.146 171.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.95 -10.31 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.517 -1.22 . . . . 61.0 110.075 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.5 0.34 73.12 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 115.97 -0.559 . . . . 61.0 112.425 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.89 173.24 10.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.788 0.328 . . . . 61.0 111.224 -177.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.1 t -117.13 124.43 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 61.0 109.787 174.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.582 ' HB2' HD23 ' A' ' 14' ' ' LEU . 34.1 tp -112.26 106.47 15.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.128 -0.487 . . . . 61.0 110.002 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.557 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 78.5 p -96.15 169.53 9.89 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.034 -0.728 . . . . 61.0 109.034 175.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 22' ' ' ARG . 14.1 mtp180 -68.94 -14.59 63.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.322 0.582 . . . . 61.0 110.173 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.93 -18.22 33.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.688 -0.687 . . . . 61.0 110.57 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' HB2' HD13 ' A' ' 20' ' ' LEU . 9.8 m-20 -81.1 -11.9 59.38 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.156 -0.474 . . . . 61.0 110.625 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.546 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 66.4 mt -60.62 139.89 92.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.843 -0.617 . . . . 61.0 110.794 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.99 157.65 28.3 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.347 2.698 . . . . 61.0 112.76 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.589 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 20.6 Cg_endo -59.74 140.89 95.59 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.033 2.488 . . . . 61.0 112.601 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.35 -28.7 69.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.517 -0.765 . . . . 61.0 111.659 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -84.15 13.85 4.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.403 0.62 . . . . 61.0 111.066 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.589 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 63.4 m -78.84 114.46 17.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.171 0.51 . . . . 61.0 110.372 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -111.37 -43.0 3.77 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.807 -0.812 . . . . 61.0 108.807 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -81.03 73.48 8.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.887 0.851 . . . . 61.0 109.788 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -65.85 136.88 56.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.663 -1.153 . . . . 61.0 112.296 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.3 m -104.76 168.56 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.593 -0.73 . . . . 61.0 109.261 171.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.92 82.37 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.112 0.412 . . . . 61.0 112.112 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.0 m -60.9 -39.59 89.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.894 0.331 . . . . 61.0 111.894 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -71.66 -39.03 70.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.621 0.248 . . . . 61.0 110.648 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -62.55 -45.34 93.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.926 0.393 . . . . 61.0 110.495 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.9 87.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 61.0 111.408 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.51 84.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 61.0 111.325 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.4 t -69.14 -50.91 48.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.347 -0.388 . . . . 61.0 111.396 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.34 -37.07 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.621 -0.263 . . . . 61.0 110.917 -177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.677 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.7 mttt -63.81 -39.26 93.8 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.552 0.215 . . . . 61.0 110.518 176.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.458 ' HB1' HD23 ' A' ' 20' ' ' LEU . . . -58.12 -46.45 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 61.0 110.707 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.37 -48.08 78.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.06 -0.518 . . . . 61.0 111.258 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.06 -31.39 53.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.019 -0.537 . . . . 61.0 111.994 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -83.68 -17.63 40.77 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.845 -0.342 . . . . 61.0 111.348 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.73 16.96 32.09 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.49 -0.862 . . . . 61.0 112.987 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.6 tp -72.28 -53.75 11.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.471 -0.566 . . . . 61.0 109.471 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.9 pt -124.85 173.81 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.296 -0.866 . . . . 61.0 109.219 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.42 HG21 ' H ' ' A' ' 54' ' ' GLU . 2.7 t -99.28 151.03 21.5 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.288 0.566 . . . . 61.0 111.076 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 29.6 tt0 -54.08 -40.41 67.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.734 -1.121 . . . . 61.0 110.402 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -64.75 -35.82 82.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.071 -0.968 . . . . 61.0 110.793 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 28.1 tt0 -68.11 -48.33 65.75 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.998 -0.546 . . . . 61.0 109.876 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.27 -44.57 71.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.56 . . . . 61.0 111.051 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 24.3 mt -62.39 -46.16 89.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.001 -0.545 . . . . 61.0 110.656 178.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -67.98 -49.69 60.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.863 -0.608 . . . . 61.0 111.513 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 14.9 ptm180 -73.04 -30.37 63.69 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.476 0.547 . . . . 61.0 112.476 -173.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.546 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 47.5 m-85 -104.84 5.11 32.83 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.708 -0.397 . . . . 61.0 111.646 -177.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 m 63.28 30.16 15.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.363 0.602 . . . . 61.0 110.651 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 65.1 mt -87.48 145.57 26.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.859 -0.609 . . . . 61.0 110.471 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 35.5 m -90.54 162.34 15.07 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.497 -0.557 . . . . 61.0 109.497 173.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -63.42 -38.39 90.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.371 -0.377 . . . . 61.0 110.758 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.59 -26.21 64.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.331 -0.395 . . . . 61.0 111.247 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 62' ' ' SER . 6.9 tp10 -65.46 -58.15 6.54 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.36 -0.608 . . . . 61.0 109.36 175.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.82 -29.96 69.8 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.766 -0.652 . . . . 61.0 110.594 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.68 83.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.144 -0.48 . . . . 61.0 110.911 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.18 -41.41 70.37 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.458 -0.337 . . . . 61.0 110.369 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.9 m0 -55.39 -53.39 56.87 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.8 -0.636 . . . . 61.0 110.351 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -71.31 -19.5 62.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.788 -0.642 . . . . 61.0 111.01 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.8 t -70.32 -40.15 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.427 . . . . 61.0 109.94 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.42 -45.52 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.029 -0.532 . . . . 61.0 111.568 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.328 -0.361 0 N-CA-C 112.073 0.397 . . . . 61.0 112.073 -174.256 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.487 ' HA ' ' CD ' ' A' ' 22' ' ' ARG . 97.0 mtt180 . . . . . 0 N--CA 1.45 -0.447 0 CA-C-O 120.679 0.276 . . . . 61.0 110.961 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.466 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 14.0 pt20 -164.01 142.29 7.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 61.0 110.707 175.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.9 m -129.85 162.44 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.791 -0.64 . . . . 61.0 110.087 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.3 m -95.74 136.24 36.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.846 0.355 . . . . 61.0 111.011 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.747 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.0 mm? -85.52 161.47 51.13 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 61.0 109.966 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.791 ' HD3' ' HE2' ' A' ' 47' ' ' HIS . 14.3 Cg_exo -68.88 -16.84 41.65 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.218 1.946 . . . . 61.0 110.127 172.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.38 -17.94 61.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.302 -1.317 . . . . 61.0 110.258 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.41 -5.48 67.65 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.337 -0.705 . . . . 61.0 111.337 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.43 ' C ' HD21 ' A' ' 14' ' ' LEU . 1.4 m -78.69 168.89 19.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.339 -0.43 . . . . 61.0 110.636 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.5 t -108.55 131.68 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.936 0.398 . . . . 61.0 110.125 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.551 ' HB2' HD23 ' A' ' 14' ' ' LEU . 63.2 tp -113.11 97.21 6.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.526 . . . . 61.0 110.251 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.466 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 97.1 p -88.24 173.02 9.03 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.737 -0.468 . . . . 61.0 109.737 177.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.487 ' CD ' ' HA ' ' A' ' 10' ' ' ARG . 74.2 mtp85 -70.42 -11.29 60.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.033 0.445 . . . . 61.0 110.682 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.15 -4.8 34.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.674 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.419 ' CB ' HD13 ' A' ' 20' ' ' LEU . 3.6 m-20 -83.82 -15.6 47.72 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.268 -0.423 . . . . 61.0 110.575 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.42 141.02 88.18 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-N 116.092 -0.504 . . . . 61.0 110.405 175.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.32 146.08 93.33 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.776 2.317 . . . . 61.0 111.87 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.46 154.38 59.6 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.014 2.476 . . . . 61.0 112.615 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.62 -9.15 56.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 61.0 111.068 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -83.7 -8.51 59.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 61.0 110.689 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.5 m -79.19 101.25 7.85 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.148 -0.478 . . . . 61.0 111.071 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -32.82 9.58 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.78 -0.822 . . . . 61.0 108.78 171.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.86 80.63 4.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.54 -0.911 . . . . 61.0 108.54 173.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -74.59 118.76 17.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.109 -0.951 . . . . 61.0 112.585 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -96.52 162.92 2.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.764 -0.653 . . . . 61.0 109.377 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.02 -42.04 75.88 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.374 0.509 . . . . 61.0 112.374 -175.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 p -62.43 -43.8 97.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.644 0.239 . . . . 61.0 111.644 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -70.62 -35.57 73.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.661 0.267 . . . . 61.0 110.474 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -62.78 -43.96 97.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 61.0 110.304 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.452 ' HA ' HG23 ' A' ' 73' ' ' VAL . . . -58.69 -42.94 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.541 -0.754 . . . . 61.0 111.089 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.29 -43.03 82.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.438 -0.347 . . . . 61.0 111.057 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.0 t -66.13 -51.61 57.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.048 -0.524 . . . . 61.0 111.326 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.537 HG23 ' HA ' ' A' ' 70' ' ' ARG . 12.4 p -69.38 -35.84 69.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 61.0 111.431 -175.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.747 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.4 mttt -62.22 -34.34 76.28 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.879 0.371 . . . . 61.0 110.052 176.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.46 95.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.551 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 67.0 t -67.33 -42.52 87.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.966 0.412 . . . . 61.0 110.706 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.09 -39.23 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 61.0 111.607 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.791 ' HE2' ' HD3' ' A' ' 15' ' ' PRO . 83.3 m-70 -83.15 -15.27 51.3 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.782 -0.367 . . . . 61.0 111.523 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.55 24.75 20.3 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.384 -0.912 . . . . 61.0 113.018 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.479 HD21 ' HG ' ' A' ' 20' ' ' LEU . 44.2 tp -75.64 -46.38 31.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.118 -0.697 . . . . 61.0 109.118 175.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.428 ' HB ' ' HG2' ' A' ' 54' ' ' GLU . 39.1 pt -132.32 168.98 22.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.916 -1.038 . . . . 61.0 109.09 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.548 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 5.2 t -95.82 157.84 15.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.035 0.445 . . . . 61.0 110.359 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 33.2 tt0 -57.36 -40.98 79.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.915 -0.584 . . . . 61.0 110.723 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -69.66 -22.55 63.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.534 . . . . 61.0 110.993 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 6.2 tp10 -68.61 -48.24 64.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.108 -0.701 . . . . 61.0 109.108 173.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.81 86.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.38 -0.827 . . . . 61.0 111.002 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.523 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 62.0 mt -63.33 -31.05 72.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 61.0 110.827 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.51 -60.3 2.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.096 -0.502 . . . . 61.0 111.225 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm85 -64.3 -30.51 71.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 61.0 111.986 -173.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -104.02 3.17 33.07 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.684 -0.406 . . . . 61.0 110.993 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.0 m 55.32 52.48 11.37 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.316 0.579 . . . . 61.0 110.742 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.523 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 73.6 mt -105.98 148.65 27.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.694 -0.685 . . . . 61.0 110.326 -177.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -92.51 160.99 14.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.144 -0.48 . . . . 61.0 109.761 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -62.24 -35.75 79.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.017 0.437 . . . . 61.0 110.444 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.88 -36.13 74.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.689 -0.687 . . . . 61.0 111.323 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -73.51 -52.92 11.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 61.0 110.229 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -61.97 -30.62 71.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.309 -0.405 . . . . 61.0 110.966 -177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.78 87.81 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.953 0.406 . . . . 61.0 110.312 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.92 -45.58 77.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.769 -0.651 . . . . 61.0 110.049 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -52.42 -56.71 13.16 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.818 -0.628 . . . . 61.0 111.315 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.537 ' HA ' HG23 ' A' ' 42' ' ' VAL . 4.6 ptm180 -64.67 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 61.0 111.448 -175.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 m -74.93 -31.47 61.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.663 0.268 . . . . 61.0 111.087 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.26 -45.47 16.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.714 0.292 . . . . 61.0 111.326 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.452 HG23 ' HA ' ' A' ' 39' ' ' ALA . 67.6 t . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.379 -0.373 . . . . 61.0 111.765 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 120.447 0.165 . . . . 61.0 110.627 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.7 pt20 -144.16 144.62 31.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.885 0.374 . . . . 61.0 111.07 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.432 HG22 ' HB3' ' A' ' 20' ' ' LEU . 18.2 m -133.52 175.35 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.748 -0.66 . . . . 61.0 109.49 172.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.0 m -109.38 144.61 37.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.923 0.392 . . . . 61.0 111.03 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.634 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -94.55 156.86 38.03 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 61.0 110.234 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.591 ' HD3' ' HE2' ' A' ' 47' ' ' HIS . 15.3 Cg_exo -69.22 -4.82 14.43 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.754 2.303 . . . . 61.0 110.476 172.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -96.18 -0.97 49.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.695 -1.139 . . . . 61.0 110.192 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.9 2.84 77.63 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 121.11 -0.567 . . . . 61.0 112.771 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.472 ' HB ' HD21 ' A' ' 14' ' ' LEU . 1.9 m -92.02 168.24 11.53 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.879 -0.189 . . . . 61.0 110.974 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.4 t -108.22 128.82 63.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 109.861 -0.422 . . . . 61.0 109.861 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.568 ' HB2' HD23 ' A' ' 14' ' ' LEU . 61.9 tp -110.71 106.39 15.59 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.066 -0.516 . . . . 61.0 109.881 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.487 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 91.9 p -95.3 166.65 11.79 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.435 -0.579 . . . . 61.0 109.435 177.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.503 ' NH1' HG23 ' A' ' 50' ' ' ILE . 60.5 mtp85 -73.19 -2.39 21.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.062 0.458 . . . . 61.0 110.325 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.95 -16.68 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.531 -0.759 . . . . 61.0 110.471 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.461 ' HB2' HD13 ' A' ' 20' ' ' LEU . 24.8 m-20 -79.86 -11.98 59.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.257 -0.429 . . . . 61.0 110.674 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.23 130.24 86.93 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 61.0 110.327 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.12 156.17 17.04 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.544 2.829 . . . . 61.0 112.648 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 22.0 Cg_endo -61.44 156.41 46.77 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.121 2.548 . . . . 61.0 112.525 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -81.58 1.32 34.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.017 -0.538 . . . . 61.0 110.601 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.9 -0.18 51.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 61.0 110.499 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.402 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 87.6 m -85.09 124.0 31.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.993 -0.549 . . . . 61.0 111.79 -175.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 31' ' ' ARG . 2.1 mmt180 -126.16 -22.53 4.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.046 -0.524 . . . . 61.0 110.285 167.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -78.81 69.47 4.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.857 0.837 . . . . 61.0 108.873 169.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -72.71 106.95 4.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.976 -1.011 . . . . 61.0 112.059 -173.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -80.59 166.21 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.514 -0.55 . . . . 61.0 109.514 171.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.21 -38.45 79.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.122 0.264 . . . . 61.0 111.241 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -57.15 -45.71 83.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.92 -0.582 . . . . 61.0 111.488 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -75.82 -38.39 58.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.155 -0.475 . . . . 61.0 110.775 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -62.27 -44.2 97.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 61.0 110.195 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.442 ' HA ' HG22 ' A' ' 73' ' ' VAL . . . -59.01 -44.17 91.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.691 . . . . 61.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 -42.9 80.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.409 -0.359 . . . . 61.0 111.327 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.97 -53.62 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.395 -0.366 . . . . 61.0 111.309 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.425 HG11 ' HB ' ' A' ' 73' ' ' VAL . 13.7 p -67.1 -37.6 79.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 116.37 -0.377 . . . . 61.0 111.236 -175.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.634 ' HD3' HD12 ' A' ' 14' ' ' LEU . 96.9 mttt -65.98 -30.12 70.62 Favored 'General case' 0 CA--C 1.523 -0.09 0 O-C-N 122.309 -0.245 . . . . 61.0 110.484 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.22 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 61.0 110.499 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 50' ' ' ILE . 53.5 t -71.64 -39.71 69.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.019 0.438 . . . . 61.0 110.663 178.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 42' ' ' VAL . 84.9 mt -70.25 -32.91 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.896 -0.593 . . . . 61.0 111.976 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.591 ' HE2' ' HD3' ' A' ' 15' ' ' PRO . 84.3 m-70 -90.69 -1.15 57.88 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.995 -0.441 . . . . 61.0 111.92 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.07 37.33 22.23 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.55 -0.833 . . . . 61.0 112.62 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 tp -95.87 -45.54 6.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.484 0.659 . . . . 61.0 109.661 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.503 HG23 ' NH1' ' A' ' 22' ' ' ARG . 34.0 pt -132.35 173.85 14.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.093 -0.958 . . . . 61.0 109.154 175.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -105.28 155.15 19.35 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.118 -0.327 . . . . 61.0 110.118 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 19.9 tt0 -54.28 -43.32 70.94 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.038 0.446 . . . . 61.0 110.571 -177.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 33.7 mmt180 -66.68 -27.34 67.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.859 -0.61 . . . . 61.0 111.734 -177.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 26.1 tt0 -73.8 -39.9 63.77 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.387 -0.597 . . . . 61.0 109.387 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.74 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.699 -0.682 . . . . 61.0 110.171 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.547 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 65.6 mt -63.46 -37.17 86.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.478 -0.783 . . . . 61.0 110.815 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.59 -56.17 8.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.966 -0.561 . . . . 61.0 111.769 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 7.5 ptp180 -69.77 -22.91 63.31 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.264 0.468 . . . . 61.0 112.264 -172.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.524 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 62.2 m-85 -107.94 -0.31 21.48 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.712 -0.395 . . . . 61.0 112.014 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.9 t 60.6 46.56 9.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.671 0.748 . . . . 61.0 109.888 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.556 HD21 ' HG2' ' A' ' 65' ' ' GLU . 41.6 mt -102.38 160.26 14.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.517 -0.765 . . . . 61.0 110.027 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m -116.88 170.95 8.22 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.645 -0.502 . . . . 61.0 109.645 176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -54.15 -42.58 69.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.426 0.155 . . . . 61.0 111.348 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -51.56 -36.39 44.99 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.158 -0.473 . . . . 61.0 111.624 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.556 ' HG2' HD21 ' A' ' 61' ' ' LEU . 7.3 tp10 -74.73 -62.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.735 -0.666 . . . . 61.0 110.184 -176.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.512 ' HB2' HD21 ' A' ' 56' ' ' LEU . 42.5 t80 -61.95 -32.54 72.97 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.759 -0.655 . . . . 61.0 111.502 -173.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.53 -36.68 81.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.742 0.306 . . . . 61.0 110.851 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.39 -37.56 60.47 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.137 -0.483 . . . . 61.0 110.323 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -57.02 -48.65 77.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.936 -0.575 . . . . 61.0 110.745 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -74.78 -23.66 58.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.911 -0.315 . . . . 61.0 110.978 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.4 t -64.16 -31.15 72.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.259 0.552 . . . . 61.0 109.656 173.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.85 -53.72 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.992 -0.549 . . . . 61.0 111.389 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 39' ' ' ALA . 58.3 t . . . . . 0 C--N 1.328 -0.345 0 N-CA-C 112.782 0.66 . . . . 61.0 112.782 -171.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.6 0.238 . . . . 61.0 110.696 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.553 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.3 pt20 -151.3 141.2 21.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.427 -0.351 . . . . 61.0 110.309 176.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 m -131.98 155.98 42.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.414 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -96.6 136.57 36.94 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.15 0.5 . . . . 61.0 111.019 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.625 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -88.33 159.17 48.04 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 61.0 110.337 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HD3' ' HE2' ' A' ' 47' ' ' HIS . 11.1 Cg_exo -71.17 -15.1 31.97 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.474 2.116 . . . . 61.0 109.956 169.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.09 -15.66 60.6 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 114.669 -1.15 . . . . 61.0 109.807 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.4 2.96 63.36 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.931 -0.652 . . . . 61.0 111.738 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.497 ' HB ' HD21 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -89.04 169.84 11.16 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.46 0.304 . . . . 61.0 110.832 -178.337 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.0 t -116.17 125.57 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.774 -0.454 . . . . 61.0 109.774 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.599 ' HB2' HD23 ' A' ' 14' ' ' LEU . 53.1 tp -113.63 108.94 17.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.923 -0.58 . . . . 61.0 110.13 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 88.6 p -99.3 169.96 8.99 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.987 -0.375 . . . . 61.0 109.987 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.582 ' NH1' HG23 ' A' ' 50' ' ' ILE . 48.8 mtp85 -71.91 -6.61 43.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 61.0 110.72 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.4 -8.97 43.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 61.0 110.619 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' HB2' HD11 ' A' ' 20' ' ' LEU . 21.7 m-20 -90.45 -4.06 57.25 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.119 -0.492 . . . . 61.0 110.578 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.47 HD11 HG21 ' A' ' 50' ' ' ILE . 56.9 mt -67.71 134.81 92.4 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.864 -0.607 . . . . 61.0 110.47 177.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -61.97 149.67 89.37 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.087 2.525 . . . . 61.0 111.474 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.51 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 25.2 Cg_endo -61.5 151.67 78.34 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.741 2.294 . . . . 61.0 112.796 -178.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -70.48 -20.61 62.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 61.0 111.127 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.01 4.77 16.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 61.0 110.531 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.51 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 85.8 m -84.17 103.95 13.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.132 -0.486 . . . . 61.0 111.302 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -109.36 169.45 8.69 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.079 -0.712 . . . . 61.0 109.079 169.392 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 31' ' ' ARG . 46.1 ttt180 76.79 -53.67 0.57 Allowed 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.91 0.756 . . . . 61.0 109.544 -173.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 m95 70.83 159.56 0.2 Allowed 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.285 -0.87 . . . . 61.0 112.564 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.02 162.16 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.614 -1.176 . . . . 61.0 108.728 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -41.04 79.35 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.465 0.543 . . . . 61.0 112.465 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.9 p -58.55 -47.61 83.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.344 . . . . 61.0 111.729 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.409 ' O ' HG23 ' A' ' 41' ' ' VAL . 61.2 mtt180 -69.02 -39.39 79.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 61.0 110.878 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.43 -41.75 98.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.251 -0.432 . . . . 61.0 110.69 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.53 93.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 61.0 110.974 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.45 90.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.448 -0.342 . . . . 61.0 110.904 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 37' ' ' ARG . 86.8 t -63.5 -48.12 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 61.0 111.345 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 46' ' ' ILE . 14.9 p -65.73 -41.66 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.848 -0.341 . . . . 61.0 111.075 -177.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.625 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.3 mttt -66.39 -30.13 70.44 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 122.315 -0.241 . . . . 61.0 110.684 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.15 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 61.0 110.469 177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.497 HG21 HG13 ' A' ' 50' ' ' ILE . 56.5 t -65.57 -45.59 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 61.0 110.821 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 42' ' ' VAL . 96.8 mt -56.06 -40.97 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.957 -0.565 . . . . 61.0 111.953 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.456 ' HE2' ' HD3' ' A' ' 15' ' ' PRO . 71.1 m-70 -88.76 -5.12 58.3 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.733 -0.387 . . . . 61.0 111.818 -176.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.66 17.37 56.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.674 -0.774 . . . . 61.0 112.954 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.484 HD23 ' HG ' ' A' ' 20' ' ' LEU . 31.2 tp -69.52 -44.89 70.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.472 0.653 . . . . 61.0 109.427 177.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.582 HG23 ' NH1' ' A' ' 22' ' ' ARG . 36.0 pt -131.37 172.22 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.091 -0.959 . . . . 61.0 108.959 174.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.6 t -100.16 149.56 23.4 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.059 0.457 . . . . 61.0 110.262 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.645 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 19.9 tt0 -57.24 -40.03 76.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.567 -0.742 . . . . 61.0 110.47 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.603 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 1.2 tmt_? -66.92 -30.56 70.73 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.701 -0.481 . . . . 61.0 109.701 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 31.6 tt0 -66.66 -46.57 75.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.579 -0.526 . . . . 61.0 109.579 178.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.4 86.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.115 -0.493 . . . . 61.0 110.769 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 49.7 mt -68.85 -31.93 71.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.682 -0.69 . . . . 61.0 110.776 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.417 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . 16.7 t70 -78.93 -55.34 5.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.981 -0.554 . . . . 61.0 111.232 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.1 ptm180 -67.87 -36.92 81.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.698 -0.683 . . . . 61.0 111.776 -171.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -97.55 -1.11 44.67 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.966 -0.294 . . . . 61.0 111.393 -177.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 t 57.4 74.29 0.42 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.528 0.68 . . . . 61.0 109.844 -176.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 82.5 mt -127.14 -161.89 1.11 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.536 -0.756 . . . . 61.0 110.067 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 m -148.59 157.23 43.32 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.222 -0.659 . . . . 61.0 109.222 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.88 -40.62 84.95 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 123.194 0.309 . . . . 61.0 110.94 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.92 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 61.0 110.979 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -67.92 -50.0 58.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.771 -0.65 . . . . 61.0 109.81 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -62.31 -33.97 75.7 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.091 -0.504 . . . . 61.0 110.576 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.29 82.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 61.0 110.329 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.64 -42.24 87.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.992 -0.549 . . . . 61.0 110.298 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -55.82 -51.64 66.78 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.009 -0.542 . . . . 61.0 111.224 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -71.79 -22.34 61.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.866 0.321 . . . . 61.0 111.866 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.8 m -80.18 -23.52 40.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.036 0.446 . . . . 61.0 110.587 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.32 -23.31 22.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.138 -0.483 . . . . 61.0 111.241 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.329 -0.319 0 C-N-CA 121.063 -0.255 . . . . 61.0 111.648 -179.187 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.801 -0.444 . . . . 61.0 109.801 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.561 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.4 pt20 -155.92 141.71 17.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 61.0 110.26 -177.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.95 156.07 31.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.229 -0.441 . . . . 61.0 110.551 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.1 m -93.8 135.33 35.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.232 -0.44 . . . . 61.0 110.916 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.654 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -89.63 156.85 47.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.187 -0.46 . . . . 61.0 110.235 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.51 -14.38 39.62 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.525 2.15 . . . . 61.0 110.089 171.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.66 -14.85 60.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.599 -1.182 . . . . 61.0 109.794 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.49 3.98 64.4 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.882 -0.599 . . . . 61.0 111.634 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.437 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.3 m -89.26 169.28 11.58 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.485 -0.358 . . . . 61.0 111.124 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.72 126.5 72.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.853 -0.425 . . . . 61.0 109.853 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.606 ' HB2' HD22 ' A' ' 14' ' ' LEU . 38.7 tp -115.41 104.98 12.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.145 -0.48 . . . . 61.0 110.055 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.5 p -94.21 169.94 9.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.256 -0.429 . . . . 61.0 110.495 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -66.46 -13.06 60.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.129 -0.487 . . . . 61.0 111.078 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.5 -7.78 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 61.0 110.546 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.455 ' HB2' HD11 ' A' ' 20' ' ' LEU . 24.3 m-20 -86.13 -13.62 46.58 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.931 -0.396 . . . . 61.0 109.931 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt -56.65 129.67 76.74 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.725 -0.67 . . . . 61.0 109.829 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.24 148.74 68.58 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 123.105 2.537 . . . . 61.0 112.214 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.18 155.14 71.92 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.795 2.33 . . . . 61.0 112.449 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -68.6 -17.18 64.07 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.934 -0.575 . . . . 61.0 110.818 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.73 -23.29 65.24 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.568 -0.742 . . . . 61.0 110.532 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.8 m -66.56 113.71 4.96 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.508 0.671 . . . . 61.0 110.559 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.53 -41.52 2.82 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.303 -0.862 . . . . 61.0 108.976 178.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -77.0 82.16 3.53 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.142 -1.058 . . . . 61.0 108.142 168.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -66.42 119.02 10.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.09 -0.959 . . . . 61.0 111.75 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.45 162.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 61.0 109.444 173.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.84 -42.15 71.6 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.303 0.377 . . . . 61.0 111.678 -176.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.6 m -60.09 -40.77 90.74 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.835 0.309 . . . . 61.0 111.835 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -79.07 -32.96 44.96 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.602 -0.272 . . . . 61.0 110.731 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.45 -43.2 91.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.03 0.443 . . . . 61.0 110.417 173.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.467 ' HA ' HG13 ' A' ' 42' ' ' VAL . . . -61.46 -39.35 90.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.693 -0.685 . . . . 61.0 111.222 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.4 95.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.821 0.343 . . . . 61.0 110.796 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.0 t -66.67 -48.43 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.274 -0.421 . . . . 61.0 111.355 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.519 HG23 ' HA ' ' A' ' 70' ' ' ARG . 13.7 p -66.26 -40.21 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.621 -0.263 . . . . 61.0 111.395 -177.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.654 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.1 mttt -65.54 -35.35 80.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.707 0.289 . . . . 61.0 110.461 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.51 ' HB1' HD23 ' A' ' 20' ' ' LEU . . . -59.73 -45.92 90.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.119 0.485 . . . . 61.0 110.368 177.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.562 HG13 ' HG3' ' A' ' 52' ' ' GLU . 82.0 t -66.99 -45.04 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.637 -0.711 . . . . 61.0 111.506 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.49 -37.64 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.181 -0.463 . . . . 61.0 111.359 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -81.93 -18.13 44.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.801 -0.359 . . . . 61.0 111.355 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.13 2.51 45.09 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.381 -0.914 . . . . 61.0 113.225 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.481 HD23 ' HG ' ' A' ' 20' ' ' LEU . 37.7 tp -55.33 -52.41 63.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.348 0.594 . . . . 61.0 109.6 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 pt -129.07 -175.92 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.724 -0.843 . . . . 61.0 108.724 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -123.23 167.04 14.25 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.884 -0.326 . . . . 61.0 110.276 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.562 ' HG3' HG13 ' A' ' 45' ' ' VAL . 6.4 mt-10 -55.54 -48.05 75.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.47 . . . . 61.0 111.621 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -29.56 70.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.828 -0.624 . . . . 61.0 111.02 -177.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 13.1 tp10 -71.59 -46.88 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.742 -0.663 . . . . 61.0 110.219 178.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.4 65.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.916 -0.584 . . . . 61.0 111.105 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 68.1 mt -61.07 -36.41 79.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.594 . . . . 61.0 110.89 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.67 -55.8 9.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.254 -0.43 . . . . 61.0 111.385 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.1 ptp180 -65.88 -37.94 87.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 61.0 111.783 -174.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -92.89 0.08 57.34 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.991 0.367 . . . . 61.0 111.991 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.3 m 58.91 39.23 24.01 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.24 0.543 . . . . 61.0 110.691 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 90.0 mt -93.49 167.86 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.713 -0.676 . . . . 61.0 110.635 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.459 ' HB3' ' OE1' ' A' ' 64' ' ' GLU . 19.0 m -106.25 153.3 22.35 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.418 -0.586 . . . . 61.0 109.418 175.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -63.56 -35.54 80.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.943 0.401 . . . . 61.0 110.799 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.459 ' OE1' ' HB3' ' A' ' 62' ' ' SER . 1.7 pm0 -71.19 -24.31 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 61.0 110.94 177.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 62' ' ' SER . 36.0 tp10 -70.36 -50.39 39.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.223 -0.658 . . . . 61.0 109.223 177.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 42' ' ' VAL . 50.9 t80 -62.86 -29.71 70.95 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.833 -0.622 . . . . 61.0 110.354 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.25 87.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.514 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.17 -42.98 83.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.277 -0.42 . . . . 61.0 110.104 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -54.26 -55.04 32.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.965 -0.561 . . . . 61.0 111.133 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.519 ' HA ' HG23 ' A' ' 42' ' ' VAL . 7.4 ptm180 -69.89 -29.05 66.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 61.0 111.168 -175.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.6 t -75.69 -28.79 58.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.071 0.462 . . . . 61.0 110.317 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.2 -39.2 16.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.474 -0.33 . . . . 61.0 111.492 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.636 0.255 . . . . 61.0 111.401 -176.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.676 0.274 . . . . 61.0 110.274 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.571 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.8 pt20 -154.26 140.46 18.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.946 -0.57 . . . . 61.0 110.717 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.5 m -123.44 159.54 27.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.993 -0.548 . . . . 61.0 110.823 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.2 m -100.65 129.14 46.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.92 -0.582 . . . . 61.0 110.685 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.615 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -83.9 153.89 64.07 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.708 -0.479 . . . . 61.0 109.708 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.45 -14.88 43.96 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.03 1.82 . . . . 61.0 110.048 173.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.72 -16.14 61.2 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.271 -1.331 . . . . 61.0 110.34 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.75 3.37 66.32 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.013 -0.613 . . . . 61.0 111.609 -176.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -86.81 166.44 15.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.312 -0.444 . . . . 61.0 110.641 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.3 t -113.48 129.48 69.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.918 -0.401 . . . . 61.0 109.918 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.59 ' HB2' HD23 ' A' ' 14' ' ' LEU . 50.8 tp -122.49 106.81 11.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.154 -0.475 . . . . 61.0 110.127 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.571 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 86.1 p -101.12 173.8 6.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.443 -0.344 . . . . 61.0 110.145 178.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -71.47 -9.6 58.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.838 0.352 . . . . 61.0 110.818 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.17 -6.99 37.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.099 -0.501 . . . . 61.0 110.608 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.447 ' HB2' HD11 ' A' ' 20' ' ' LEU . 13.4 m-20 -90.68 -18.49 24.97 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.106 -0.497 . . . . 61.0 110.904 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 50' ' ' ILE . 67.6 mt -52.93 139.75 42.27 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-N 116.125 -0.488 . . . . 61.0 111.073 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.31 137.99 78.56 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.792 2.328 . . . . 61.0 111.114 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.89 150.41 78.05 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.644 2.229 . . . . 61.0 112.745 -175.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.4 mt -65.95 -16.41 63.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.526 0.679 . . . . 61.0 109.872 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.43 -28.26 69.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.214 -0.903 . . . . 61.0 111.041 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.469 HG23 HH11 ' A' ' 37' ' ' ARG . 54.4 m -64.54 119.37 10.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.361 0.6 . . . . 61.0 112.103 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -115.21 -36.04 4.49 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.321 -0.854 . . . . 61.0 108.754 172.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -71.98 82.43 0.94 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.629 -0.714 . . . . 61.0 109.558 172.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -73.94 93.22 2.18 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.629 -0.714 . . . . 61.0 111.977 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.5 m -82.65 170.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.656 -0.702 . . . . 61.0 110.088 175.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.86 -53.42 56.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.636 0.606 . . . . 61.0 112.636 -173.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.8 m -64.11 -32.56 74.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.188 0.44 . . . . 61.0 112.188 -174.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.469 HH11 HG23 ' A' ' 30' ' ' THR . 98.3 mtt180 -70.71 -39.82 73.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.849 0.357 . . . . 61.0 110.325 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.11 -42.02 99.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.95 -0.568 . . . . 61.0 110.253 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HA ' HG11 ' A' ' 42' ' ' VAL . . . -61.54 -39.02 89.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.523 -0.762 . . . . 61.0 111.305 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.39 98.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.83 0.348 . . . . 61.0 110.763 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.76 -47.64 87.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.216 -0.447 . . . . 61.0 111.238 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' A' ' 39' ' ' ALA . 13.5 p -68.22 -38.75 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.43 -0.35 . . . . 61.0 111.126 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.615 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.2 mttt -63.46 -30.96 72.0 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.768 0.318 . . . . 61.0 110.372 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB1' HD23 ' A' ' 20' ' ' LEU . . . -64.04 -44.69 91.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.028 -0.533 . . . . 61.0 110.911 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.517 HG22 HG13 ' A' ' 50' ' ' ILE . 62.6 t -72.96 -38.14 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.02 0.438 . . . . 61.0 110.95 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.0 -39.0 80.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.984 -0.553 . . . . 61.0 111.427 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -85.9 -18.65 32.13 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.829 -0.348 . . . . 61.0 111.485 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 25.68 13.42 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.192 -1.004 . . . . 61.0 112.603 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.486 HD21 ' HG ' ' A' ' 20' ' ' LEU . 40.1 tp -73.98 -50.45 19.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.065 0.936 . . . . 61.0 108.892 175.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.517 HG13 HG22 ' A' ' 45' ' ' VAL . 37.5 pt -124.88 163.82 24.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.395 -1.275 . . . . 61.0 108.386 173.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.472 HG21 ' HB2' ' A' ' 54' ' ' GLU . 10.8 t -92.05 159.85 15.51 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 120.108 -0.637 . . . . 61.0 109.686 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.493 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 31.4 tt0 -57.11 -45.59 83.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.893 -0.594 . . . . 61.0 111.062 -172.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -71.03 -26.62 63.18 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 111.846 0.313 . . . . 61.0 111.846 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 28.0 tt0 -62.58 -36.79 83.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.434 -0.58 . . . . 61.0 109.434 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.13 -46.66 76.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.753 -0.658 . . . . 61.0 110.484 174.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.569 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 61.1 mt -61.82 -53.98 48.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.804 -0.635 . . . . 61.0 111.149 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -63.61 -31.25 72.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.782 -0.645 . . . . 61.0 112.402 -172.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.4 ptp180 -86.21 -23.02 26.62 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.3 -0.56 . . . . 61.0 111.967 -178.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.433 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 56.1 m-85 -110.2 4.23 20.8 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.827 -0.349 . . . . 61.0 111.432 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.7 m 63.06 25.59 15.04 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.222 0.534 . . . . 61.0 110.728 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 88.3 mt -81.45 154.48 26.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.761 -0.654 . . . . 61.0 110.868 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 14.8 m -92.61 154.26 18.5 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.914 -0.585 . . . . 61.0 109.513 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.27 -42.12 81.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.156 -0.475 . . . . 61.0 110.902 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.7 pt-20 -68.13 -30.46 69.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.704 -0.68 . . . . 61.0 110.952 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' HB3' ' O ' ' A' ' 62' ' ' SER . 7.4 tp10 -60.73 -58.9 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.226 0.536 . . . . 61.0 109.588 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.582 ' HE2' HH11 ' A' ' 70' ' ' ARG . 55.6 t80 -63.64 -31.44 72.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.719 -0.673 . . . . 61.0 110.782 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.25 -44.03 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 61.0 110.154 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 87.6 mt -66.74 -40.07 88.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 61.0 110.481 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -53.52 -51.51 62.61 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.304 -0.407 . . . . 61.0 111.039 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.582 HH11 ' HE2' ' A' ' 66' ' ' PHE . 12.1 ptm180 -77.66 -21.63 51.86 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.117 -0.233 . . . . 61.0 111.611 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.7 m -77.2 -15.81 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.283 0.563 . . . . 61.0 110.068 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.44 -63.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.59 -0.732 . . . . 61.0 110.818 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.342 -0.39 . . . . 61.0 111.962 -173.744 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.747 0.308 . . . . 61.0 110.716 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.471 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 6.7 pt20 -149.86 144.95 26.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.997 0.427 . . . . 61.0 111.005 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 m -128.65 157.17 41.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.728 -0.669 . . . . 61.0 110.403 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -90.12 136.76 32.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.825 0.345 . . . . 61.0 111.063 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.741 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.0 mm? -90.97 158.55 41.61 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.46 -0.337 . . . . 61.0 110.095 176.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HD3' ' HE2' ' A' ' 47' ' ' HIS . 65.9 Cg_endo -74.39 -4.26 15.14 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.383 2.056 . . . . 61.0 111.516 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -102.7 4.03 37.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.173 -0.921 . . . . 61.0 110.364 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.5 -9.76 69.12 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 121.028 -0.606 . . . . 61.0 113.762 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 19' ' ' VAL . 11.2 m -79.65 167.93 20.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.668 0.271 . . . . 61.0 111.095 -178.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.451 ' N ' HG23 ' A' ' 18' ' ' THR . 78.8 t -111.53 132.63 59.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.918 -0.401 . . . . 61.0 109.918 173.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.587 ' HB2' HD23 ' A' ' 14' ' ' LEU . 48.9 tp -113.46 106.67 14.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.264 -0.425 . . . . 61.0 110.123 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 71.3 p -94.78 163.96 13.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.05 -0.523 . . . . 61.0 110.365 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HG3' HD11 ' A' ' 49' ' ' LEU . 65.6 mtt180 -70.4 -11.52 60.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.56 -0.291 . . . . 61.0 111.425 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.73 -7.37 43.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.968 0.413 . . . . 61.0 110.386 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.416 ' HB3' HD13 ' A' ' 20' ' ' LEU . 34.9 t70 -91.97 -12.09 34.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.024 -0.535 . . . . 61.0 110.293 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.1 139.53 91.08 Favored Pre-proline 0 C--O 1.233 0.212 0 CA-C-N 115.818 -0.628 . . . . 61.0 110.546 174.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.44 138.51 76.75 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.878 2.385 . . . . 61.0 112.274 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -66.05 165.73 23.11 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.495 2.796 . . . . 61.0 113.038 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.1 mt -79.55 -4.57 52.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.688 -0.687 . . . . 61.0 111.773 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -24.34 61.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.406 0.622 . . . . 61.0 109.503 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.488 HG23 ' CD ' ' A' ' 37' ' ' ARG . 69.6 m -79.48 116.13 19.52 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.732 -1.122 . . . . 61.0 112.1 -172.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -116.35 -28.46 6.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.577 -0.738 . . . . 61.0 109.972 172.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -75.24 78.06 2.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.52 0.676 . . . . 61.0 109.326 171.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.472 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 97.5 m95 -71.14 113.15 7.88 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.208 -0.906 . . . . 61.0 111.51 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 33.4 m -103.91 166.14 3.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.428 -0.806 . . . . 61.0 109.595 175.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.42 -41.36 65.95 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.476 0.547 . . . . 61.0 112.476 -173.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.0 m -56.73 -49.64 74.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.218 0.532 . . . . 61.0 111.191 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.488 ' CD ' HG23 ' A' ' 30' ' ' THR . 90.5 mtt-85 -73.8 -35.62 64.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 61.0 110.816 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HE3' ' O ' ' A' ' 33' ' ' TRP . 98.9 mttt -62.69 -43.26 99.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 61.0 110.465 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.42 88.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 61.0 111.243 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.36 90.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.379 -0.373 . . . . 61.0 111.218 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.5 t -67.34 -51.9 47.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.449 -0.341 . . . . 61.0 111.354 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.481 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.3 p -66.49 -40.14 85.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.36 . . . . 61.0 111.379 -175.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.741 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.3 mttt -66.42 -28.05 68.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.565 0.222 . . . . 61.0 110.691 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.1 82.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.894 0.378 . . . . 61.0 110.591 177.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.89 -42.17 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.141 0.496 . . . . 61.0 110.765 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.67 -27.15 42.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.723 -0.672 . . . . 61.0 111.84 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.514 ' HE2' ' HD3' ' A' ' 15' ' ' PRO . 84.3 m-70 -102.27 0.28 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.245 0.461 . . . . 61.0 112.245 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.45 21.06 65.23 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.309 -0.948 . . . . 61.0 112.653 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.481 HD11 ' HG3' ' A' ' 22' ' ' ARG . 39.2 tp -74.74 -47.06 33.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.023 -0.732 . . . . 61.0 109.023 176.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.1 pt -132.12 168.93 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.071 -0.968 . . . . 61.0 108.669 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 54' ' ' GLU . 2.4 t -95.67 156.88 16.14 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.056 0.455 . . . . 61.0 110.586 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 21.9 tt0 -60.9 -39.24 88.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.822 -0.626 . . . . 61.0 110.358 -177.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -58.54 -42.57 88.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.698 -0.683 . . . . 61.0 110.504 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 32.1 tp10 -57.19 -47.83 80.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.462 -0.79 . . . . 61.0 109.907 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.16 87.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.251 -0.431 . . . . 61.0 111.148 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.556 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 34.4 mt -65.16 -34.07 77.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.231 -0.44 . . . . 61.0 111.015 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -75.79 -59.6 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.6 -0.273 . . . . 61.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.5 ptm180 -64.06 -34.41 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.125 0.417 . . . . 61.0 112.125 -171.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.419 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 38.6 m-85 -102.07 2.12 37.19 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.785 -0.366 . . . . 61.0 111.297 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.1 m 55.3 61.72 2.78 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.345 0.593 . . . . 61.0 110.46 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 48.4 mt -112.04 148.02 34.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.452 -0.794 . . . . 61.0 110.255 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.3 m -99.07 169.64 9.27 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.053 -0.521 . . . . 61.0 110.102 175.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -58.0 -44.48 87.23 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.465 -0.334 . . . . 61.0 111.366 -175.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 2.0 pm0 -66.7 -32.73 74.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.612 -0.267 . . . . 61.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.507 ' HG2' HD21 ' A' ' 61' ' ' LEU . 6.9 tp10 -59.34 -60.6 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.032 0.444 . . . . 61.0 109.849 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -61.88 -32.04 72.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.754 -0.657 . . . . 61.0 110.332 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.79 99.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 61.0 110.674 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 82.7 mt -64.88 -46.35 82.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.475 -0.33 . . . . 61.0 110.472 177.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.6 m0 -56.41 -49.98 72.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 61.0 110.861 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.481 ' HA ' HG21 ' A' ' 42' ' ' VAL . 11.1 ptm180 -70.28 -22.87 62.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 61.0 111.108 -177.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.8 m -84.06 -29.22 27.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.804 0.335 . . . . 61.0 110.955 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.58 -32.23 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.852 0.358 . . . . 61.0 111.386 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.401 -0.363 . . . . 61.0 111.505 -178.301 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.315 0.102 . . . . 61.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.556 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.5 pt20 -153.98 144.07 22.02 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.368 0.604 . . . . 61.0 112.008 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 m -117.47 157.68 18.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.408 -0.815 . . . . 61.0 109.993 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.7 m -99.34 140.44 33.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.023 0.439 . . . . 61.0 110.53 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.561 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -93.39 148.33 35.36 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.624 -0.51 . . . . 61.0 109.624 177.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.17 -17.51 59.98 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.452 2.102 . . . . 61.0 110.587 174.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.1 -11.37 59.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.887 -1.051 . . . . 61.0 110.554 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.13 -1.42 67.5 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 116.002 -0.544 . . . . 61.0 111.872 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.0 m -80.76 163.13 23.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.617 -0.291 . . . . 61.0 110.228 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -119.48 123.35 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.965 -0.383 . . . . 61.0 109.965 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.561 ' HB2' HD23 ' A' ' 14' ' ' LEU . 60.4 tp -113.17 109.64 19.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.207 -0.451 . . . . 61.0 110.08 -178.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 36.2 p -108.51 165.62 11.39 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.341 -0.39 . . . . 61.0 110.996 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -62.79 -19.86 64.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.58 . . . . 61.0 111.224 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.7 -2.7 31.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 61.0 110.897 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -97.05 -15.63 20.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 61.0 110.123 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 mt -50.76 140.39 19.81 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 115.951 -0.568 . . . . 61.0 110.706 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.36 147.41 77.57 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.939 2.426 . . . . 61.0 112.192 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.36 153.17 79.47 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.478 2.119 . . . . 61.0 112.606 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 mt -69.79 -16.51 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.639 -0.709 . . . . 61.0 110.19 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.93 -22.92 65.93 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.186 -0.915 . . . . 61.0 110.808 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.3 m -78.61 106.82 10.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.133 -0.485 . . . . 61.0 111.398 -177.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -105.08 -34.92 7.8 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.666 -0.697 . . . . 61.0 109.773 171.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 32' ' ' ARG . 33.2 ptt180 -78.22 76.94 4.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 122.354 1.073 . . . . 61.0 109.07 171.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -65.4 121.39 14.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.485 -1.234 . . . . 61.0 112.327 -175.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.0 m -91.0 160.86 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.767 -0.651 . . . . 61.0 109.429 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.79 -40.46 69.47 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.824 0.305 . . . . 61.0 111.824 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m -60.58 -41.18 94.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.361 . . . . 61.0 111.557 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -82.05 -30.69 31.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 61.0 111.22 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -64.03 -42.51 97.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.957 0.408 . . . . 61.0 109.912 172.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.39 83.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.573 -0.739 . . . . 61.0 110.998 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.22 80.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.449 -0.342 . . . . 61.0 111.023 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.62 -47.9 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.442 -0.344 . . . . 61.0 111.307 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.9 p -67.09 -40.12 84.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.503 -0.317 . . . . 61.0 111.306 -176.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HD3' HD11 ' A' ' 14' ' ' LEU . 98.0 mttt -69.95 -24.57 63.37 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.079 -0.249 . . . . 61.0 110.728 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.463 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -63.76 -49.61 72.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 61.0 110.323 177.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 62.8 t -65.64 -43.23 93.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.182 178.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.02 -41.97 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.402 -0.817 . . . . 61.0 112.349 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -86.63 -0.75 56.81 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.88 0.326 . . . . 61.0 111.88 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.65 15.85 65.02 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.504 -0.855 . . . . 61.0 112.874 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.415 HD21 ' HG ' ' A' ' 20' ' ' LEU . 48.5 tp -68.73 -53.11 23.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.423 0.63 . . . . 61.0 109.489 177.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 34.4 pt -129.35 169.61 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.327 -0.851 . . . . 61.0 109.39 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 10.2 t -95.5 159.53 14.95 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 110.126 -0.324 . . . . 61.0 110.126 175.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 29.6 tt0 -63.91 -42.7 97.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 61.0 110.647 -174.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -53.49 -40.73 65.58 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.823 -0.626 . . . . 61.0 110.336 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.487 ' HB3' ' O ' ' A' ' 51' ' ' THR . 16.9 tp10 -61.2 -51.85 67.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.308 -0.86 . . . . 61.0 110.294 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.14 -46.32 82.81 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.151 -0.477 . . . . 61.0 111.358 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.504 HD23 ' HB2' ' A' ' 66' ' ' PHE . 47.0 mt -65.64 -44.83 85.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.682 -0.69 . . . . 61.0 111.232 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.63 -48.29 67.17 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.314 0.487 . . . . 61.0 112.314 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm180 -64.79 -39.88 94.31 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.808 0.299 . . . . 61.0 111.808 -175.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -96.26 1.72 52.32 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.102 -0.239 . . . . 61.0 111.239 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.7 m 60.76 32.1 20.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.622 0.725 . . . . 61.0 110.661 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 65' ' ' GLU . 84.5 mt -87.88 153.13 21.56 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.29 -0.868 . . . . 61.0 109.526 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 m -95.74 159.64 14.88 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.611 -0.515 . . . . 61.0 109.611 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -59.96 -34.11 72.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.032 0.444 . . . . 61.0 110.641 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.55 -39.37 76.52 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.576 -0.738 . . . . 61.0 111.093 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.509 ' HG2' HD21 ' A' ' 61' ' ' LEU . 15.8 tp10 -65.12 -55.9 16.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.821 -0.627 . . . . 61.0 110.114 -178.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.504 ' HB2' HD23 ' A' ' 56' ' ' LEU . 47.0 t80 -59.77 -31.58 69.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.605 -0.725 . . . . 61.0 110.883 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.2 94.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.03 -0.532 . . . . 61.0 110.442 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.39 -42.56 87.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.952 -0.567 . . . . 61.0 110.485 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -56.78 -54.42 46.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 61.0 111.339 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.468 ' HA ' HG21 ' A' ' 42' ' ' VAL . 13.2 ptm180 -64.81 -26.95 68.56 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.072 -0.251 . . . . 61.0 111.164 -177.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.5 m -75.28 -35.66 61.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.894 0.378 . . . . 61.0 110.642 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.92 -22.98 29.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 61.0 111.898 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.2 t . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 112.031 0.382 . . . . 61.0 112.031 -177.136 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 10' ' ' ARG . 55.0 mtt180 . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.428 0.156 . . . . 61.0 111.379 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 18.0 pt20 -152.01 144.24 23.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.102 0.477 . . . . 61.0 111.658 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.5 m -128.1 -177.75 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.447 -0.797 . . . . 61.0 109.973 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 m -119.0 146.99 44.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.726 0.298 . . . . 61.0 110.638 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.661 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.0 mm? -94.62 159.09 34.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 110.129 -0.323 . . . . 61.0 110.129 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.08 -13.45 33.89 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.296 1.997 . . . . 61.0 110.041 171.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.21 -15.44 60.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.508 -1.223 . . . . 61.0 110.092 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.49 2.56 63.45 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.632 -0.713 . . . . 61.0 111.723 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.522 ' HB ' HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.64 171.21 10.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.703 0.287 . . . . 61.0 111.028 -177.817 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.4 t -109.2 137.28 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.421 -0.354 . . . . 61.0 110.126 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.57 ' HB2' HD23 ' A' ' 14' ' ' LEU . 57.1 tp -126.33 101.23 6.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.998 0.427 . . . . 61.0 110.51 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 1.2 m -91.96 166.89 12.47 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.408 -0.59 . . . . 61.0 109.408 176.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.606 ' NH1' HG23 ' A' ' 50' ' ' ILE . 69.9 mtp85 -69.03 -21.66 64.1 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.77 -0.456 . . . . 61.0 109.77 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.48 -7.66 59.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.832 -0.622 . . . . 61.0 111.103 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.05 -8.7 55.17 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.392 -0.367 . . . . 61.0 110.438 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.472 HD11 HG21 ' A' ' 50' ' ' ILE . 68.0 mt -64.75 146.9 98.39 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.927 -0.579 . . . . 61.0 110.647 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.82 148.19 89.87 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.766 2.311 . . . . 61.0 112.257 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.482 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 9.7 Cg_endo -53.98 143.7 60.05 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.87 2.38 . . . . 61.0 112.508 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.52 -24.77 67.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.806 -0.634 . . . . 61.0 111.588 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.93 -6.56 57.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.128 -0.487 . . . . 61.0 111.23 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.482 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 99.9 m -68.24 102.64 1.4 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.335 0.588 . . . . 61.0 110.934 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -103.63 -26.25 12.86 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.824 -1.176 . . . . 61.0 107.824 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -77.2 74.53 3.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.521 -1.218 . . . . 61.0 108.979 172.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -72.52 124.99 26.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.257 -0.883 . . . . 61.0 112.192 -175.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -105.5 158.43 6.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.241 -0.89 . . . . 61.0 109.358 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.05 -40.18 63.8 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.063 0.394 . . . . 61.0 112.063 -176.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -63.85 -37.81 88.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.472 -0.331 . . . . 61.0 111.382 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -80.59 -28.98 36.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.733 0.302 . . . . 61.0 110.585 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -64.0 -46.57 83.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.215 -0.448 . . . . 61.0 109.874 171.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.28 80.19 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.417 -0.811 . . . . 61.0 110.911 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.57 93.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.3 -0.409 . . . . 61.0 111.161 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.79 -50.26 50.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.442 -0.344 . . . . 61.0 111.265 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 70' ' ' ARG . 11.8 p -66.75 -40.92 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 61.0 111.263 -175.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.661 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.9 mttt -67.94 -29.24 68.25 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.348 -0.241 . . . . 61.0 110.348 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.42 92.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.494 -0.321 . . . . 61.0 110.864 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.495 HG22 HG13 ' A' ' 50' ' ' ILE . 44.1 t -70.35 -42.19 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.002 0.429 . . . . 61.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 42' ' ' VAL . 57.5 mt -64.04 -29.33 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.201 -0.454 . . . . 61.0 111.424 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -90.6 -9.2 47.9 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.228 -0.295 . . . . 61.0 111.382 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.76 27.7 45.49 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.456 -0.878 . . . . 61.0 112.223 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.458 HD21 ' HG ' ' A' ' 20' ' ' LEU . 36.4 tp -78.71 -44.55 23.29 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.965 -0.754 . . . . 61.0 108.965 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.606 HG23 ' NH1' ' A' ' 22' ' ' ARG . 29.4 pt -130.7 164.19 34.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.876 -1.056 . . . . 61.0 108.632 174.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 t -91.5 152.07 20.49 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.143 0.497 . . . . 61.0 110.204 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 10.8 tt0 -61.93 -35.94 79.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.654 -0.703 . . . . 61.0 110.324 -175.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -33.57 76.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.522 -0.763 . . . . 61.0 110.005 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 52.0 tt0 -69.35 -43.72 73.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.932 -0.576 . . . . 61.0 110.285 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.74 94.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.964 0.411 . . . . 61.0 110.813 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 44.6 mt -66.13 -33.0 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.756 -0.656 . . . . 61.0 110.96 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -78.8 -53.64 6.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.296 -0.411 . . . . 61.0 111.218 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.1 ptm180 -67.61 -30.23 69.76 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.176 -0.465 . . . . 61.0 111.997 -174.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.466 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 52.9 m-85 -102.96 0.93 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.798 -0.361 . . . . 61.0 111.379 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 m 56.41 58.48 4.2 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.633 0.73 . . . . 61.0 110.52 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 65' ' ' GLU . 93.8 mt -117.29 -175.69 2.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.16 -0.927 . . . . 61.0 110.084 -178.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -135.69 163.03 31.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.816 -0.629 . . . . 61.0 109.741 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -51.48 -47.73 63.1 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.324 0.39 . . . . 61.0 111.128 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 16.4 pt-20 -53.8 -37.49 63.57 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.511 0.507 . . . . 61.0 111.452 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.509 ' HG2' HD21 ' A' ' 61' ' ' LEU . 10.9 tp10 -70.67 -58.94 3.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.095 -0.502 . . . . 61.0 110.046 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -61.91 -33.37 74.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.955 -0.566 . . . . 61.0 111.09 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HA ' ' HD2' ' A' ' 70' ' ' ARG . . . -61.71 -35.52 78.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 61.0 110.876 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 95.3 mt -72.74 -42.9 63.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.395 -0.366 . . . . 61.0 110.048 176.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -55.5 -50.47 69.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 61.0 110.812 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.558 ' HA ' HG22 ' A' ' 42' ' ' VAL . 6.9 ptm180 -66.35 -31.23 71.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 61.0 110.76 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.9 t -75.6 -30.39 59.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.847 0.356 . . . . 61.0 110.752 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.18 -42.96 11.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.439 -0.346 . . . . 61.0 111.565 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.5 t . . . . . 0 C--N 1.329 -0.304 0 N-CA-C 111.889 0.329 . . . . 61.0 111.889 -174.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.946 0.403 . . . . 61.0 110.105 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.559 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.5 pt20 -154.12 136.14 14.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.796 -0.638 . . . . 61.0 110.756 175.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 m -118.4 161.71 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.527 -0.761 . . . . 61.0 110.724 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -95.9 140.54 30.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.973 -0.558 . . . . 61.0 110.804 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.666 HD11 ' HD3' ' A' ' 43' ' ' LYS . 3.3 mm? -96.03 152.92 39.23 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.717 -0.475 . . . . 61.0 109.717 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -69.41 -9.59 26.64 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.269 1.979 . . . . 61.0 110.555 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.77 -5.43 59.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.645 -1.161 . . . . 61.0 109.824 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.51 17.3 64.42 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.67 -0.695 . . . . 61.0 112.232 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -101.05 168.69 9.44 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.107 -0.331 . . . . 61.0 110.107 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.12 127.57 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.639 -0.504 . . . . 61.0 109.639 175.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HB2' HD23 ' A' ' 14' ' ' LEU . 35.1 tp -115.63 107.83 15.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.278 -0.419 . . . . 61.0 110.268 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.559 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 80.6 p -94.3 168.01 11.17 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.788 -0.449 . . . . 61.0 109.788 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.6 ' HE ' HG21 ' A' ' 50' ' ' ILE . 49.5 mtp180 -70.98 -10.56 59.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.898 0.38 . . . . 61.0 110.233 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.86 -12.46 22.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.865 -0.607 . . . . 61.0 110.72 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -85.14 -8.16 58.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.01 0.433 . . . . 61.0 110.072 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.554 ' HB3' ' HH ' ' A' ' 59' ' ' TYR . 65.6 mt -63.52 140.69 97.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.599 -0.728 . . . . 61.0 110.333 174.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.01 142.45 65.09 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.146 2.564 . . . . 61.0 111.837 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.09 156.88 52.31 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.589 2.192 . . . . 61.0 112.741 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 mt -67.33 -21.7 65.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.863 -0.608 . . . . 61.0 110.238 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.47 -20.61 66.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.207 -0.906 . . . . 61.0 111.311 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.528 HG22 ' HD3' ' A' ' 37' ' ' ARG . 52.9 m -67.35 115.21 6.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.478 0.656 . . . . 61.0 112.511 -178.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.458 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 15.7 tpt180 -108.01 -40.76 5.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.486 -0.779 . . . . 61.0 109.506 168.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -69.56 87.04 0.47 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.486 0.66 . . . . 61.0 110.381 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.442 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 97.1 m95 -76.79 100.09 5.36 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.394 -0.821 . . . . 61.0 111.489 177.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.15 172.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.824 -0.625 . . . . 61.0 109.718 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.3 -41.4 84.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.71 0.291 . . . . 61.0 111.45 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -58.87 -50.33 74.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.073 -0.512 . . . . 61.0 111.218 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.528 ' HD3' HG22 ' A' ' 30' ' ' THR . 89.0 mtt180 -70.4 -37.71 74.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.977 -0.556 . . . . 61.0 111.501 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 33' ' ' TRP . 63.7 mttm -61.47 -43.17 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 61.0 110.592 176.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.93 99.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.848 -0.615 . . . . 61.0 111.357 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.68 87.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.446 -0.343 . . . . 61.0 111.144 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.95 -49.43 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 61.0 111.337 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 70' ' ' ARG . 13.9 p -66.85 -38.66 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.531 -0.304 . . . . 61.0 111.308 -176.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.666 ' HD3' HD11 ' A' ' 14' ' ' LEU . 98.8 mttt -67.55 -27.1 66.67 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.609 0.242 . . . . 61.0 110.708 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.457 ' HB3' HD21 ' A' ' 25' ' ' LEU . . . -65.26 -50.82 64.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.359 . . . . 61.0 111.058 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 50' ' ' ILE . 54.5 t -67.18 -40.55 85.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.326 0.584 . . . . 61.0 109.904 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.3 mt -57.6 -37.5 58.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 114.995 -1.002 . . . . 61.0 112.241 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -95.26 4.26 53.69 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.663 -0.415 . . . . 61.0 111.698 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.76 15.77 78.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 61.0 112.888 176.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.4 tp -65.91 -51.19 60.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.685 0.755 . . . . 61.0 109.446 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.6 HG21 ' HE ' ' A' ' 22' ' ' ARG . 37.4 pt -125.17 168.36 18.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.821 -1.081 . . . . 61.0 108.976 175.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.408 HG21 ' H ' ' A' ' 54' ' ' GLU . 6.1 t -90.54 152.42 20.92 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.438 0.637 . . . . 61.0 110.845 177.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 17.6 tt0 -56.89 -38.86 73.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.954 -1.021 . . . . 61.0 110.555 -177.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' A' ' 53' ' ' ARG . 16.4 mmt180 -74.9 -21.15 59.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.424 -0.807 . . . . 61.0 111.152 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 42.5 tt0 -70.63 -45.94 64.27 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.484 -0.561 . . . . 61.0 109.484 175.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.48 93.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.733 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 32.7 mt -68.06 -26.51 65.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.616 . . . . 61.0 110.8 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -85.21 -55.99 3.76 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.965 -0.294 . . . . 61.0 111.638 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.6 ptm180 -65.09 -24.18 67.37 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.226 0.454 . . . . 61.0 112.226 -174.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.554 ' HH ' ' HB3' ' A' ' 25' ' ' LEU . 38.2 m-85 -114.29 4.87 15.58 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.63 -0.428 . . . . 61.0 111.155 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 p 47.93 63.12 2.16 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.912 0.863 . . . . 61.0 110.756 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 85.2 mt -109.21 147.49 32.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.858 -1.064 . . . . 61.0 109.686 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.41 ' HB3' ' OE1' ' A' ' 64' ' ' GLU . 21.7 m -89.52 156.96 18.29 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.038 -0.528 . . . . 61.0 109.918 177.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -57.92 -41.32 82.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.524 -0.762 . . . . 61.0 110.752 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.8 pm0 -68.57 -32.48 72.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.808 -0.633 . . . . 61.0 110.819 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -62.7 -56.91 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.51 -0.552 . . . . 61.0 109.51 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.09 -33.2 73.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.998 -0.546 . . . . 61.0 110.767 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 70' ' ' ARG . . . -59.44 -40.83 88.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 61.0 110.534 176.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 90.7 mt -65.8 -46.7 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.564 177.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -52.64 -48.84 66.15 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.089 -0.505 . . . . 61.0 111.101 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.439 ' HA ' HG22 ' A' ' 42' ' ' VAL . 8.4 ptm180 -72.0 -30.79 65.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.406 -0.361 . . . . 61.0 110.783 -176.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.2 m -76.47 -17.89 59.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.976 0.417 . . . . 61.0 110.797 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.67 -42.66 8.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 61.0 111.511 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.33 -0.24 0 N-CA-C 112.031 0.382 . . . . 61.0 112.031 -175.405 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 120.587 0.232 . . . . 61.0 111.267 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.7 pt20 -147.71 151.2 35.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.761 0.315 . . . . 61.0 110.956 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.2 m -130.01 165.66 29.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.575 . . . . 61.0 110.403 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.7 m -102.37 142.36 33.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.972 0.415 . . . . 61.0 110.949 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.1 mm? -96.03 151.15 38.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.287 -0.415 . . . . 61.0 109.932 176.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -69.11 -12.69 34.76 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.121 1.881 . . . . 61.0 110.016 171.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.91 -7.22 55.14 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.431 -1.259 . . . . 61.0 109.464 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.0 14.16 70.13 Favored Glycine 0 C--N 1.334 0.458 0 CA-C-N 115.776 -0.647 . . . . 61.0 112.332 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.528 ' HB ' HD21 ' A' ' 14' ' ' LEU . 2.1 m -98.96 167.71 10.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.57 0.224 . . . . 61.0 110.807 -177.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.3 t -114.02 123.55 69.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.682 -0.488 . . . . 61.0 109.682 174.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.633 ' HB2' HD23 ' A' ' 14' ' ' LEU . 46.8 tp -116.43 115.45 25.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.041 0.448 . . . . 61.0 110.229 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 8.7 m -107.64 161.54 14.77 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.921 -0.582 . . . . 61.0 110.18 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.594 ' NH1' HG23 ' A' ' 50' ' ' ILE . 75.1 mtp85 -65.92 -25.1 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.684 0.278 . . . . 61.0 111.59 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.39 -5.06 50.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.877 0.37 . . . . 61.0 110.566 176.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -88.71 -16.5 32.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.179 0.514 . . . . 61.0 109.85 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.8 mt -55.77 146.89 44.59 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 115.273 -0.876 . . . . 61.0 110.525 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.06 149.12 64.63 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.934 2.423 . . . . 61.0 112.477 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.611 ' O ' HG22 ' A' ' 30' ' ' THR . 19.4 Cg_endo -60.7 157.09 39.09 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.697 2.265 . . . . 61.0 111.56 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.452 HD21 ' O ' ' A' ' 58' ' ' ARG . 48.9 mt -74.15 -6.71 49.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.101 0.477 . . . . 61.0 110.931 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.9 -13.2 54.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.813 -0.63 . . . . 61.0 111.764 -175.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 27' ' ' PRO . 7.2 t -71.95 111.47 7.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.894 0.854 . . . . 61.0 112.513 -171.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -104.56 -29.75 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.355 -0.839 . . . . 61.0 109.301 168.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -79.98 71.72 6.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.903 0.858 . . . . 61.0 109.386 174.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -67.1 103.29 1.16 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.011 -0.995 . . . . 61.0 112.087 -176.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 m -82.65 163.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.778 -0.646 . . . . 61.0 109.616 172.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.18 81.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 61.0 111.186 -176.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 m -58.56 -37.09 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 61.0 111.458 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -80.14 -41.56 25.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.63 -0.259 . . . . 61.0 111.075 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -61.39 -45.3 94.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 61.0 110.749 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.35 91.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.852 -0.613 . . . . 61.0 111.075 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.45 80.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.451 -0.341 . . . . 61.0 111.013 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.3 t -62.79 -49.62 82.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.151 -0.477 . . . . 61.0 111.266 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 70' ' ' ARG . 14.0 p -68.75 -41.25 82.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.378 -0.373 . . . . 61.0 111.225 -176.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.506 ' HD3' HD12 ' A' ' 14' ' ' LEU . 44.0 mttm -65.56 -29.87 70.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.622 0.249 . . . . 61.0 110.354 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HB1' HD21 ' A' ' 20' ' ' LEU . . . -61.95 -45.64 92.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 61.0 110.6 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.44 HG22 HG13 ' A' ' 50' ' ' ILE . 51.6 t -68.65 -40.31 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 61.0 110.878 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 42' ' ' VAL . 79.3 mt -67.32 -23.81 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 115.86 -0.609 . . . . 61.0 111.419 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -99.37 -7.42 26.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.835 0.309 . . . . 61.0 111.835 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.37 19.31 60.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.421 -0.895 . . . . 61.0 112.564 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.471 HD23 ' HG ' ' A' ' 20' ' ' LEU . 50.2 tp -73.89 -41.7 61.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.563 0.697 . . . . 61.0 109.256 176.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.594 HG23 ' NH1' ' A' ' 22' ' ' ARG . 33.7 pt -134.71 165.49 31.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.851 -1.068 . . . . 61.0 108.483 175.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 54' ' ' GLU . 3.1 t -93.32 154.29 18.07 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 120.517 -0.473 . . . . 61.0 110.085 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 33.3 tt0 -55.45 -43.9 75.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 61.0 110.675 -177.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HD2' HD12 ' A' ' 56' ' ' LEU . 5.7 mmm180 -66.53 -32.38 73.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.784 -0.644 . . . . 61.0 111.301 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 34.6 tt0 -64.93 -42.87 94.31 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.667 -0.494 . . . . 61.0 109.667 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.05 99.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.221 0.534 . . . . 61.0 110.512 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 62.7 mt -69.35 -28.69 66.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.531 -0.759 . . . . 61.0 111.322 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -94.71 -24.53 17.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.879 0.696 . . . . 61.0 112.879 -175.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm180 -84.43 -18.18 36.81 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.2 -0.6 . . . . 61.0 110.868 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.406 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 71.9 m-85 -117.37 0.88 12.31 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.049 -0.26 . . . . 61.0 111.314 178.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.3 m 59.15 38.36 23.71 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.275 0.56 . . . . 61.0 111.314 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.522 HD23 ' HG2' ' A' ' 65' ' ' GLU . 93.3 mt -91.93 167.2 12.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.82 -0.627 . . . . 61.0 111.171 -176.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -105.56 163.5 12.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.685 -0.689 . . . . 61.0 109.948 175.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.49 -38.29 89.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 120.677 0.275 . . . . 61.0 110.668 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.49 -28.53 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.438 -0.346 . . . . 61.0 111.096 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HG2' HD23 ' A' ' 61' ' ' LEU . 7.6 tp10 -67.27 -56.87 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.01 -0.737 . . . . 61.0 109.01 176.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.64 -32.42 70.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.079 -0.964 . . . . 61.0 110.621 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 70' ' ' ARG . . . -61.43 -41.15 96.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 61.0 110.927 177.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.72 -42.58 86.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.274 -0.421 . . . . 61.0 110.168 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -58.81 -54.25 49.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.799 -0.637 . . . . 61.0 111.069 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.556 ' HA ' HG22 ' A' ' 42' ' ' VAL . 11.2 ptm180 -64.61 -26.92 68.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.438 -0.346 . . . . 61.0 111.117 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 t -72.91 -43.63 62.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 61.0 110.232 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.66 -39.36 37.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.17 -0.468 . . . . 61.0 111.879 -175.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 112.053 0.39 . . . . 61.0 112.053 -174.731 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.984 0.421 . . . . 61.0 110.05 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.9 pt20 -154.49 143.0 20.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.74 -0.664 . . . . 61.0 110.846 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.0 m -122.65 161.51 23.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.958 -0.564 . . . . 61.0 110.345 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 m -96.37 141.57 29.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.897 0.38 . . . . 61.0 110.955 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.598 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -91.87 142.8 26.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 109.53 -0.544 . . . . 61.0 109.53 174.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.443 ' HD3' ' CE1' ' A' ' 47' ' ' HIS . 23.4 Cg_exo -63.82 -8.96 17.05 Favored 'Trans proline' 0 CA--C 1.527 0.146 0 C-N-CA 122.663 2.242 . . . . 61.0 110.94 172.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -85.24 -2.44 58.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.105 -0.952 . . . . 61.0 110.036 177.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.16 59.21 3.44 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.526 -0.629 . . . . 61.0 111.526 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.6 m -150.51 166.47 30.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.58 -0.526 . . . . 61.0 109.58 -177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -111.56 130.47 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.686 0.279 . . . . 61.0 110.67 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.598 ' HB2' HD21 ' A' ' 14' ' ' LEU . 61.1 tp -119.06 99.22 6.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.57 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 87.0 p -89.36 172.23 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.284 -0.636 . . . . 61.0 109.284 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -70.12 -13.49 62.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.289 0.566 . . . . 61.0 110.055 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.07 -7.06 52.82 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.921 -0.581 . . . . 61.0 110.859 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.422 ' HB2' HD11 ' A' ' 20' ' ' LEU . 10.8 m-20 -87.88 -4.69 58.83 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.183 -0.462 . . . . 61.0 110.429 177.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.438 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 85.3 mt -68.92 148.14 97.89 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.736 -0.666 . . . . 61.0 110.306 175.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.77 150.16 88.57 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.56 2.173 . . . . 61.0 111.697 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.67 166.1 27.18 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.755 2.303 . . . . 61.0 112.945 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.32 -13.81 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.903 -0.589 . . . . 61.0 111.084 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -80.91 0.29 35.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.527 . . . . 61.0 110.449 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.523 HG22 ' HD3' ' A' ' 37' ' ' ARG . 99.8 m -83.65 120.04 25.49 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.609 0.719 . . . . 61.0 111.795 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -128.73 -31.16 2.23 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.872 -1.058 . . . . 61.0 108.698 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -78.19 79.74 4.63 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 107.917 -1.142 . . . . 61.0 107.917 171.448 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -75.46 110.72 10.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.359 -0.837 . . . . 61.0 112.042 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.3 m -89.94 170.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.636 -0.711 . . . . 61.0 109.925 172.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.27 -44.69 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.864 0.32 . . . . 61.0 111.864 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 p -60.93 -41.35 96.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.999 0.428 . . . . 61.0 111.447 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.523 ' HD3' HG22 ' A' ' 30' ' ' THR . 76.4 mtt180 -71.03 -38.41 72.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 61.0 111.286 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.28 -42.27 93.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.883 0.373 . . . . 61.0 110.474 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.38 98.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.837 -0.619 . . . . 61.0 111.333 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.29 92.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.714 0.293 . . . . 61.0 110.994 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.99 -52.79 49.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.354 -0.385 . . . . 61.0 111.128 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.547 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -66.49 -40.16 85.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.322 -0.399 . . . . 61.0 111.32 -175.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.2 mttt -65.19 -31.58 72.84 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 120.616 0.246 . . . . 61.0 110.735 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.76 -45.05 95.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.276 -0.42 . . . . 61.0 110.379 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.68 -46.13 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.276 -0.42 . . . . 61.0 110.763 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 42' ' ' VAL . 74.5 mt -62.03 -30.14 48.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 116.025 -0.534 . . . . 61.0 111.7 -177.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.443 ' CE1' ' HD3' ' A' ' 15' ' ' PRO . 74.9 m-70 -92.96 -13.41 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.936 -0.306 . . . . 61.0 111.572 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.67 9.12 58.99 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.479 -0.867 . . . . 61.0 113.395 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.504 HD21 ' HG ' ' A' ' 20' ' ' LEU . 50.0 tp -62.77 -42.24 99.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.593 0.711 . . . . 61.0 109.715 178.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.688 ' HB ' ' HG2' ' A' ' 54' ' ' GLU . 46.4 pt -133.82 177.24 7.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.021 -0.991 . . . . 61.0 108.862 175.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.622 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 3.5 t -106.09 158.0 17.13 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.893 -0.41 . . . . 61.0 109.893 175.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.561 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 30.6 tt0 -57.53 -40.79 79.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.153 0.501 . . . . 61.0 110.281 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.563 HH11 ' HB2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -66.29 -27.43 67.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 61.0 109.95 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.688 ' HG2' ' HB ' ' A' ' 50' ' ' ILE . 3.5 tp10 -66.4 -51.55 55.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.581 -0.736 . . . . 61.0 109.717 177.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.51 81.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.712 -0.677 . . . . 61.0 111.109 -176.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 77.7 mt -60.58 -35.47 76.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 61.0 111.335 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.563 ' HB2' HH11 ' A' ' 53' ' ' ARG . 30.7 t70 -79.97 -48.6 13.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.898 0.38 . . . . 61.0 111.534 -175.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -70.64 -35.51 72.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 61.0 111.799 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.438 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 45.4 m-85 -97.37 -4.55 38.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.069 -0.252 . . . . 61.0 111.022 -177.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.3 t 60.96 73.55 0.48 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.479 0.657 . . . . 61.0 109.851 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 88.8 mt -131.82 156.64 45.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.431 -0.804 . . . . 61.0 110.414 -178.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 m -102.74 159.27 15.62 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.101 -0.5 . . . . 61.0 109.663 176.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -60.45 -38.5 84.36 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.717 -0.219 . . . . 61.0 110.713 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.04 -36.74 80.35 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.942 0.401 . . . . 61.0 110.684 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -66.24 -53.77 33.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.318 -0.623 . . . . 61.0 109.318 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.479 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 54.7 t80 -60.28 -34.11 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.548 -0.751 . . . . 61.0 110.548 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.49 91.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.234 -0.439 . . . . 61.0 110.708 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.54 -44.31 97.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 61.0 110.11 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -58.9 -55.41 35.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.91 -0.586 . . . . 61.0 111.175 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.547 ' HA ' HG21 ' A' ' 42' ' ' VAL . 1.3 ptm180 -66.29 -33.08 74.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 61.0 111.465 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.1 t -71.3 -36.2 71.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.948 0.404 . . . . 61.0 110.272 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.24 -53.66 18.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 61.0 110.921 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.524 HG21 HG11 ' A' ' 42' ' ' VAL . 85.2 t . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.865 -0.607 . . . . 61.0 111.562 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 121.306 0.574 . . . . 61.0 109.912 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.2 pt20 -149.06 138.09 21.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.271 -0.877 . . . . 61.0 110.582 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.425 HG21 ' HB2' ' A' ' 47' ' ' HIS . 19.5 m -118.56 149.57 20.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.841 -0.618 . . . . 61.0 110.364 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.427 HG21 ' O ' ' A' ' 14' ' ' LEU . 26.2 m -85.99 136.21 33.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.296 -0.411 . . . . 61.0 111.111 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.548 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -79.14 160.15 71.52 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 108.849 -0.797 . . . . 61.0 108.849 172.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -60.08 -20.35 60.63 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.31 2.007 . . . . 61.0 111.864 178.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -77.67 -22.52 50.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.234 -0.894 . . . . 61.0 111.179 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.16 -2.11 37.85 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.803 -0.713 . . . . 61.0 111.329 -174.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.13 166.69 23.26 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 122.291 0.236 . . . . 61.0 110.944 178.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.68 131.52 57.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.105 0.479 . . . . 61.0 111.134 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.548 ' HB2' HD23 ' A' ' 14' ' ' LEU . 67.7 tp -119.88 99.12 6.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.612 -0.722 . . . . 61.0 109.517 175.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.558 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.0 p -95.51 173.81 7.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.369 -0.378 . . . . 61.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.479 ' HG3' HD12 ' A' ' 49' ' ' LEU . 79.8 mtt180 -73.25 -12.09 60.74 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.332 -0.395 . . . . 61.0 110.757 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.15 -8.68 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 61.0 110.243 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -86.03 -17.32 35.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 61.0 110.315 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -57.9 137.2 83.52 Favored Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 116.032 -0.531 . . . . 61.0 110.909 176.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.41 155.05 64.56 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.006 2.471 . . . . 61.0 112.128 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.41 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 59.3 Cg_endo -69.66 156.78 62.71 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.717 2.278 . . . . 61.0 112.609 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.4 mt -74.26 -14.52 60.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.329 0.585 . . . . 61.0 109.92 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.8 -4.26 36.63 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.181 -0.918 . . . . 61.0 110.484 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.41 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 89.8 m -77.2 111.3 12.67 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.858 -0.61 . . . . 61.0 111.539 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -106.64 -38.62 6.08 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.502 -0.925 . . . . 61.0 108.502 170.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -75.14 84.93 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.405 -0.816 . . . . 61.0 109.594 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -75.07 108.4 7.78 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.497 -0.774 . . . . 61.0 112.074 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.29 161.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.307 -0.861 . . . . 61.0 109.739 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.8 70.79 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.308 0.38 . . . . 61.0 111.938 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -55.19 -47.1 75.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.199 0.523 . . . . 61.0 110.871 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.473 ' O ' HG22 ' A' ' 41' ' ' VAL . 91.6 mtt180 -76.97 -34.18 57.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.717 -0.674 . . . . 61.0 110.678 -176.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.28 -46.53 83.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 61.0 110.765 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.22 -44.81 92.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.699 -0.682 . . . . 61.0 111.281 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.03 86.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.408 -0.36 . . . . 61.0 111.274 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 37' ' ' ARG . 90.2 t -66.14 -52.15 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.401 . . . . 61.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.538 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.2 p -68.13 -38.95 80.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.201 -0.454 . . . . 61.0 111.384 -175.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.22 -29.25 70.03 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.75 0.309 . . . . 61.0 110.35 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.65 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.875 -0.602 . . . . 61.0 110.439 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.89 -43.0 96.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.18 0.514 . . . . 61.0 110.477 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.85 -48.58 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.541 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.425 ' HB2' HG21 ' A' ' 12' ' ' VAL . 53.0 m-70 -77.34 -3.89 42.34 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.989 0.366 . . . . 61.0 111.989 -176.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.21 23.69 53.98 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.387 -0.911 . . . . 61.0 112.72 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.479 HD12 ' HG3' ' A' ' 22' ' ' ARG . 52.1 tp -75.9 -46.15 31.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.372 0.606 . . . . 61.0 109.474 177.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 35.0 pt -132.9 172.73 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.959 -1.019 . . . . 61.0 109.218 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 5.0 t -98.49 157.31 16.3 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.922 0.391 . . . . 61.0 110.61 177.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 37.4 tt0 -58.66 -46.11 87.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.99 -0.55 . . . . 61.0 110.675 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -31.94 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.746 -0.661 . . . . 61.0 111.013 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 12.2 tp10 -59.52 -48.24 82.4 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.499 -0.556 . . . . 61.0 109.499 176.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.99 76.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.594 -0.73 . . . . 61.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.553 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 75.0 mt -58.22 -44.45 88.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.119 -0.491 . . . . 61.0 111.111 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.33 -54.57 16.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.371 . . . . 61.0 111.84 -178.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 12.3 ptp180 -73.08 -21.65 60.73 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.147 0.425 . . . . 61.0 112.147 -171.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.424 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 47.6 m-85 -110.21 4.08 20.65 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.589 -0.444 . . . . 61.0 111.86 -177.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 t 61.65 37.46 15.99 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.311 0.577 . . . . 61.0 110.437 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 71.2 mt -96.58 144.85 26.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.862 -0.608 . . . . 61.0 110.414 -177.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.3 m -99.86 165.39 11.58 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.979 -0.555 . . . . 61.0 109.803 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -54.23 -49.57 69.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 61.0 111.23 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.0 -25.97 67.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 61.0 111.272 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.39 -56.23 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.505 -0.554 . . . . 61.0 109.505 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -62.39 -30.8 71.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.748 -0.66 . . . . 61.0 110.504 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.42 90.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.092 -0.504 . . . . 61.0 110.439 175.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -47.16 78.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 61.0 110.41 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 17.4 m0 -54.8 -54.19 45.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.768 -0.651 . . . . 61.0 111.554 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.538 ' HA ' HG21 ' A' ' 42' ' ' VAL . 13.6 ptm180 -67.99 -25.81 65.6 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.968 -0.293 . . . . 61.0 111.397 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.4 m -73.81 -38.08 64.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 61.0 110.585 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.99 -19.16 57.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 61.0 111.593 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--N 1.326 -0.416 0 N-CA-C 111.788 0.292 . . . . 61.0 111.788 -178.756 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 . . . . . 0 C--O 1.234 0.27 0 N-CA-C 111.822 0.304 . . . . 61.0 111.822 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.547 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.4 pt20 -150.7 148.07 28.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.07 -0.252 . . . . 61.0 111.135 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 m -129.81 158.56 42.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.515 . . . . 61.0 110.06 174.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -102.03 138.31 39.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.392 -0.367 . . . . 61.0 110.588 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -85.61 151.7 56.09 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.699 -0.482 . . . . 61.0 109.699 176.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.11 -16.78 49.9 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.51 2.14 . . . . 61.0 110.809 174.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.78 -22.02 50.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.812 -1.086 . . . . 61.0 110.942 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.78 -1.15 34.0 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.59 -0.814 . . . . 61.0 111.79 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.64 164.86 20.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.612 0.244 . . . . 61.0 111.111 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.2 t -115.2 130.25 70.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 110.216 -0.291 . . . . 61.0 110.216 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.556 ' HB2' HD23 ' A' ' 14' ' ' LEU . 59.8 tp -122.83 104.12 9.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.329 -0.396 . . . . 61.0 110.239 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 92.0 p -98.79 171.34 8.15 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.85 -0.426 . . . . 61.0 109.85 177.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.428 ' NH1' HG21 ' A' ' 50' ' ' ILE . 72.8 mtp85 -69.84 -4.82 21.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.049 0.452 . . . . 61.0 110.716 178.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.55 -2.35 28.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 61.0 110.596 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.42 ' HB2' HD11 ' A' ' 20' ' ' LEU . 7.1 m-20 -89.94 -12.1 39.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.482 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.2 mt -57.74 131.31 82.51 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.778 -0.647 . . . . 61.0 110.596 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.58 161.93 7.05 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.785 2.99 . . . . 61.0 112.824 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.48 ' HG2' ' HB ' ' A' ' 30' ' ' THR . 11.1 Cg_endo -54.09 134.05 58.22 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.048 2.499 . . . . 61.0 112.296 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 58' ' ' ARG . 53.5 mt -61.25 -34.03 74.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.589 . . . . 61.0 111.427 -176.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.684 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 1.1 m-20 -101.06 32.19 3.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.469 -0.332 . . . . 61.0 111.452 -176.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.48 ' HB ' ' HG2' ' A' ' 27' ' ' PRO . 10.0 t -67.41 -44.45 78.77 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.17 -0.212 . . . . 61.0 111.466 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.684 ' NH1' ' HA ' ' A' ' 29' ' ' ASP . 9.4 mpt_? 65.75 -69.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.296 0.638 . . . . 61.0 112.113 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -77.72 82.14 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.478 0.656 . . . . 61.0 109.964 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -65.76 129.71 40.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.741 -1.118 . . . . 61.0 112.769 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.2 m -103.77 164.28 3.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.599 . . . . 61.0 109.533 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.57 -41.53 73.46 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.503 0.557 . . . . 61.0 112.503 -173.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 m -64.17 -44.8 90.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.363 -0.381 . . . . 61.0 111.606 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -70.72 -35.62 72.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.608 -0.269 . . . . 61.0 110.52 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.12 -44.56 97.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.999 0.428 . . . . 61.0 110.399 174.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.05 88.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.417 -0.81 . . . . 61.0 111.141 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.69 -44.22 85.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.47 -0.332 . . . . 61.0 111.315 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.4 t -67.11 -48.86 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.414 -0.357 . . . . 61.0 111.392 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.4 p -66.45 -37.13 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.718 -0.393 . . . . 61.0 110.945 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.39 -34.14 77.49 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 110.242 -0.281 . . . . 61.0 110.242 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.67 -46.42 89.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 61.0 110.691 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.51 HG23 HG13 ' A' ' 50' ' ' ILE . 58.2 t -74.24 -34.36 37.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.569 -0.287 . . . . 61.0 111.259 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.59 -42.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.496 0.189 . . . . 61.0 111.2 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -80.06 -11.61 59.75 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.962 -0.295 . . . . 61.0 111.036 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.68 21.17 34.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 61.0 113.027 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.401 HD23 ' HG ' ' A' ' 20' ' ' LEU . 50.5 tp -71.95 -42.15 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.543 . . . . 61.0 110.141 178.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.51 HG13 HG23 ' A' ' 45' ' ' VAL . 43.4 pt -138.29 166.61 23.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.33 -0.85 . . . . 61.0 109.925 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 1.8 t -91.07 159.16 16.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.129 0.49 . . . . 61.0 110.222 174.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 23.9 tt0 -58.87 -43.76 90.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.78 -0.645 . . . . 61.0 110.175 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -29.41 69.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 61.0 110.764 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.539 ' HB3' ' O ' ' A' ' 51' ' ' THR . 7.6 tp10 -58.73 -47.84 83.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.328 -0.619 . . . . 61.0 109.328 175.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.95 -48.77 62.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.42 -0.809 . . . . 61.0 111.173 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 85.3 mt -57.4 -40.11 77.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.063 -0.517 . . . . 61.0 111.701 -177.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -55.22 13.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.719 0.266 . . . . 61.0 111.719 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.519 ' HB2' HD21 ' A' ' 28' ' ' LEU . 12.6 ptp180 -66.34 -29.12 69.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.209 0.448 . . . . 61.0 112.209 -173.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -101.63 -1.08 33.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.908 -0.317 . . . . 61.0 111.6 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 t 58.1 39.65 25.93 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.313 0.577 . . . . 61.0 110.439 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 65' ' ' GLU . 97.6 mt -94.15 168.63 10.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 61.0 111.225 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 m -112.6 159.19 19.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.313 -0.858 . . . . 61.0 109.608 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -57.15 -41.59 79.42 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.08 -0.509 . . . . 61.0 111.365 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.585 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.7 pt-20 -57.06 -38.27 73.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.19 -0.459 . . . . 61.0 111.586 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.53 ' HG2' HD21 ' A' ' 61' ' ' LEU . 14.4 tp10 -65.22 -54.65 26.26 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.544 -0.539 . . . . 61.0 109.544 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -60.95 -38.36 85.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.767 -0.652 . . . . 61.0 110.79 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . . . -56.9 -38.23 72.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 61.0 110.988 176.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 97.4 mt -67.94 -44.56 76.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.322 -0.399 . . . . 61.0 110.285 179.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.6 m0 -54.53 -51.17 65.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.799 -0.637 . . . . 61.0 110.623 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 67' ' ' ALA . 8.8 ptt180 -68.5 -31.05 70.05 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.017 -0.273 . . . . 61.0 111.499 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.0 m -65.46 -32.33 73.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.939 0.4 . . . . 61.0 110.625 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.3 -47.88 8.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.289 -0.414 . . . . 61.0 112.006 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.0 t . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 112.378 0.51 . . . . 61.0 112.378 -173.245 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 120.718 0.294 . . . . 61.0 110.683 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.6 pt20 -141.63 142.6 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 61.0 110.825 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.45 148.85 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.968 -0.56 . . . . 61.0 110.112 174.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.0 m -89.56 130.34 35.89 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.175 0.512 . . . . 61.0 110.886 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.602 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -78.84 143.93 63.23 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.706 -0.849 . . . . 61.0 108.706 172.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.612 ' HD3' ' CE1' ' A' ' 47' ' ' HIS . 55.5 Cg_endo -73.57 -4.82 16.07 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.12 1.88 . . . . 61.0 109.284 173.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.59 -10.07 59.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 113.806 -1.543 . . . . 61.0 108.854 173.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.78 47.99 5.39 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.665 -0.698 . . . . 61.0 111.873 -177.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -143.04 166.33 24.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.922 -0.399 . . . . 61.0 109.922 -175.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.1 t -111.57 127.81 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.683 0.278 . . . . 61.0 110.683 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.602 ' HB2' HD23 ' A' ' 14' ' ' LEU . 57.1 tp -116.73 108.47 15.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.766 -0.457 . . . . 61.0 109.766 177.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 23.0 p -99.56 163.26 12.58 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.92 -0.582 . . . . 61.0 110.614 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.42 ' HG3' HD11 ' A' ' 49' ' ' LEU . 91.9 mtt180 -65.21 -27.12 68.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.352 -0.385 . . . . 61.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.64 -8.1 59.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.195 -0.457 . . . . 61.0 110.893 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.0 -9.03 41.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.11 0.481 . . . . 61.0 110.361 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.47 153.19 61.82 Favored Pre-proline 0 C--O 1.236 0.374 0 CA-C-N 115.708 -0.678 . . . . 61.0 110.891 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.1 148.21 74.83 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.536 2.157 . . . . 61.0 111.814 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.474 ' HG2' ' HG1' ' A' ' 30' ' ' THR . 40.0 Cg_endo -65.24 158.59 51.49 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.879 2.386 . . . . 61.0 112.717 -176.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.11 -10.38 59.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.259 0.552 . . . . 61.0 110.756 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.17 -3.57 46.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.607 0.718 . . . . 61.0 110.149 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.474 ' HG1' ' HG2' ' A' ' 27' ' ' PRO . 85.8 m -86.66 92.43 8.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.801 -0.636 . . . . 61.0 112.223 -176.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -99.48 -24.05 14.9 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.541 -1.281 . . . . 61.0 107.541 161.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' H ' ' HG2' ' A' ' 32' ' ' ARG . 14.7 ptt180 -72.19 70.86 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 113.867 -1.515 . . . . 61.0 109.731 168.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.95 109.01 9.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.258 -0.883 . . . . 61.0 111.893 -175.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.3 m -88.82 163.18 2.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.697 -0.683 . . . . 61.0 109.918 172.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.05 71.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.451 0.537 . . . . 61.0 112.451 -173.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 m -66.71 -36.33 82.23 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.957 0.354 . . . . 61.0 111.957 -176.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -69.89 -35.97 75.06 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.067 -0.253 . . . . 61.0 110.472 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -65.17 -42.68 93.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.99 0.424 . . . . 61.0 110.106 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.65 -39.2 93.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 61.0 111.265 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.44 98.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.75 0.309 . . . . 61.0 111.061 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.1 t -67.4 -46.73 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 61.0 111.388 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.533 HG22 ' HA ' ' A' ' 70' ' ' ARG . 14.9 p -65.51 -39.06 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.899 -0.32 . . . . 61.0 111.085 -177.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.478 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.1 mttt -68.83 -32.99 73.08 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 109.941 -0.392 . . . . 61.0 109.941 177.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.76 96.24 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 61.0 110.922 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.1 t -69.35 -42.48 81.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.251 -0.431 . . . . 61.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.3 mt -71.69 -29.12 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.962 -0.563 . . . . 61.0 111.822 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.612 ' CE1' ' HD3' ' A' ' 15' ' ' PRO . 71.7 m-70 -89.36 -5.01 57.84 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.966 -0.459 . . . . 61.0 111.467 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.07 27.35 37.56 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.464 -0.874 . . . . 61.0 112.919 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.499 HD23 ' HG ' ' A' ' 20' ' ' LEU . 47.5 tp -80.11 -47.49 14.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.632 0.73 . . . . 61.0 109.296 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.7 pt -130.2 -179.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.728 -1.124 . . . . 61.0 108.575 175.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.556 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 2.8 t -106.32 158.11 17.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.03 0.443 . . . . 61.0 110.845 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.0 tt0 -62.9 -38.55 91.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.788 -0.642 . . . . 61.0 110.41 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -63.82 -37.74 88.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.309 -0.859 . . . . 61.0 109.155 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.556 ' HB3' ' O ' ' A' ' 51' ' ' THR . 6.8 tp10 -59.42 -49.82 76.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.378 -0.828 . . . . 61.0 110.5 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.41 92.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 61.0 111.274 -176.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 21.6 mt -71.04 -31.87 68.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.185 -0.461 . . . . 61.0 110.94 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -80.77 -50.16 10.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.399 -0.364 . . . . 61.0 111.403 -175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 10.1 ptm85 -66.2 -38.25 87.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.504 -0.316 . . . . 61.0 111.823 -175.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -97.09 -0.89 46.36 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.068 -0.253 . . . . 61.0 111.251 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.1 t 61.17 34.78 18.74 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.112 -0.495 . . . . 61.0 110.574 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 95.8 mt -80.4 -177.74 6.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.726 -0.67 . . . . 61.0 111.414 -176.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -124.53 156.93 36.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.639 -0.709 . . . . 61.0 110.064 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -57.22 -44.85 84.14 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.603 -0.726 . . . . 61.0 110.7 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 7.7 pt-20 -62.26 -36.98 83.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.469 -0.787 . . . . 61.0 111.702 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -66.92 -54.89 17.6 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.824 -0.436 . . . . 61.0 109.824 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -61.93 -31.43 71.74 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.433 -0.349 . . . . 61.0 110.769 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.52 83.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.902 0.382 . . . . 61.0 110.513 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 93.6 mt -68.71 -42.56 77.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 61.0 110.146 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -54.3 -52.55 61.13 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.028 -0.533 . . . . 61.0 110.664 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.533 ' HA ' HG22 ' A' ' 42' ' ' VAL . 6.2 ptm180 -69.67 -24.53 63.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.868 -0.605 . . . . 61.0 111.255 -174.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.3 m -80.99 -29.39 35.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.871 0.367 . . . . 61.0 110.83 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.12 -16.92 44.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.434 -0.348 . . . . 61.0 111.454 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.732 0.301 . . . . 61.0 111.785 -178.491 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 121.045 0.45 . . . . 61.0 110.108 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.529 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 4.0 pt20 -150.75 141.25 22.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.645 -0.707 . . . . 61.0 110.911 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.401 HG22 ' HB3' ' A' ' 20' ' ' LEU . 17.4 m -128.35 170.97 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.714 -0.675 . . . . 61.0 109.634 174.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 m -109.61 134.94 51.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.743 0.306 . . . . 61.0 111.164 -176.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.533 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.3 mm? -78.61 154.63 78.7 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.437 -0.579 . . . . 61.0 109.437 174.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.69 -9.98 27.27 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.406 2.071 . . . . 61.0 112.257 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -88.99 -25.65 21.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.796 -0.638 . . . . 61.0 110.251 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.94 -8.87 9.14 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.787 -0.642 . . . . 61.0 112.093 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.511 ' HB ' HD21 ' A' ' 14' ' ' LEU . 1.3 m -73.77 164.18 26.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.638 0.256 . . . . 61.0 111.037 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.0 t -108.69 137.25 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 110.017 -0.364 . . . . 61.0 110.017 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.533 ' HB2' HD23 ' A' ' 14' ' ' LEU . 66.9 tp -122.3 103.5 8.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.034 -0.358 . . . . 61.0 110.034 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 99.0 p -96.94 168.97 10.15 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.85 -0.426 . . . . 61.0 109.85 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.545 ' NH1' HG23 ' A' ' 50' ' ' ILE . 50.9 mtp85 -72.6 -5.78 39.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.072 0.463 . . . . 61.0 110.387 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.35 -15.37 38.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 61.0 109.877 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -82.2 -22.17 36.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 61.0 110.315 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -58.48 128.73 83.4 Favored Pre-proline 0 C--O 1.233 0.218 0 CA-C-N 115.801 -0.636 . . . . 61.0 110.7 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.67 154.97 56.55 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.096 2.53 . . . . 61.0 112.433 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.414 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 31.7 Cg_endo -63.72 164.12 22.4 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.836 2.357 . . . . 61.0 112.929 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.2 mt -83.62 -9.12 59.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.838 -0.619 . . . . 61.0 111.087 -174.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.91 0.46 57.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.124 -0.489 . . . . 61.0 110.969 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.414 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 87.6 m -78.82 109.66 13.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.474 -0.33 . . . . 61.0 111.301 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -105.31 -28.78 10.7 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.808 -0.442 . . . . 61.0 109.808 170.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -76.18 76.83 3.0 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.994 -0.743 . . . . 61.0 108.994 172.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -72.47 107.23 4.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.073 -0.967 . . . . 61.0 111.85 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.8 m -89.75 159.96 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.571 -0.74 . . . . 61.0 109.575 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.98 -40.97 70.62 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.349 0.406 . . . . 61.0 111.987 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.0 m -63.98 -35.44 80.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 61.0 111.585 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.447 ' O ' HG21 ' A' ' 41' ' ' VAL . 92.8 mtt180 -80.76 -34.97 33.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.607 0.241 . . . . 61.0 110.573 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.86 -43.52 98.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.028 0.442 . . . . 61.0 110.156 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.465 ' HB3' ' HE3' ' A' ' 43' ' ' LYS . . . -58.66 -49.66 76.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.376 -0.829 . . . . 61.0 111.269 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.54 73.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.685 0.279 . . . . 61.0 111.475 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 37' ' ' ARG . 84.2 t -70.18 -53.41 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 61.0 111.292 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.97 -39.08 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.337 -0.392 . . . . 61.0 111.12 -176.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HE3' ' HB3' ' A' ' 39' ' ' ALA . 98.4 mttt -66.59 -31.05 71.5 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.704 0.287 . . . . 61.0 110.396 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.52 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 61.0 110.3 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 65.2 t -62.97 -45.23 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.934 -0.575 . . . . 61.0 110.46 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.33 -29.84 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 115.632 -0.713 . . . . 61.0 112.026 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -98.48 -7.53 28.3 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.916 -0.314 . . . . 61.0 111.77 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.9 10.05 67.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.514 -0.85 . . . . 61.0 112.812 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.3 tp -63.49 -45.5 90.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.689 0.757 . . . . 61.0 108.987 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.545 HG23 ' NH1' ' A' ' 22' ' ' ARG . 29.9 pt -132.79 171.03 18.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.687 -1.142 . . . . 61.0 108.085 172.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 54' ' ' GLU . 5.1 t -104.78 157.37 17.25 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.503 -0.479 . . . . 61.0 110.027 176.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.3 tt0 -56.58 -40.18 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.396 0.617 . . . . 61.0 110.245 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.496 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -64.67 -32.37 74.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.204 -0.907 . . . . 61.0 109.835 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 60.9 tt0 -73.77 -37.71 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.881 -0.6 . . . . 61.0 110.155 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.77 -46.28 79.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.888 0.375 . . . . 61.0 110.346 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 52.0 mt -62.49 -34.79 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 61.0 109.893 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.8 -60.44 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.18 -0.918 . . . . 61.0 111.617 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 9.4 ptm180 -69.42 -28.66 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.86 0.689 . . . . 61.0 112.86 -172.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -107.57 5.91 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.57 -0.452 . . . . 61.0 111.972 -176.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.7 m 53.89 51.67 14.37 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.434 0.635 . . . . 61.0 110.473 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.519 HD22 ' HG2' ' A' ' 65' ' ' GLU . 97.5 mt -106.73 150.96 25.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.562 -0.745 . . . . 61.0 111.078 -176.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' HG2' ' A' ' 64' ' ' GLU . 31.6 m -104.76 162.43 13.31 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.359 -0.837 . . . . 61.0 109.098 172.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.99 -34.67 73.63 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.426 -0.352 . . . . 61.0 110.994 -177.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 11.1 pt-20 -53.37 -32.56 49.93 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.033 -0.531 . . . . 61.0 111.409 176.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.519 ' HG2' HD22 ' A' ' 61' ' ' LEU . 20.0 tp10 -82.81 -57.21 3.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.242 0.544 . . . . 61.0 109.829 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.21 -34.35 73.52 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.649 -0.705 . . . . 61.0 111.511 -174.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.89 90.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.539 -0.3 . . . . 61.0 110.701 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.26 -40.96 81.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 61.0 110.25 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.416 ' NE1' ' HG3' ' A' ' 65' ' ' GLU . 25.1 m0 -54.95 -50.7 68.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.099 -0.5 . . . . 61.0 110.817 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -72.15 -25.07 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.997 -0.281 . . . . 61.0 111.756 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.8 m -75.39 -26.35 58.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.944 0.402 . . . . 61.0 110.435 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.32 -48.19 7.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.348 -0.387 . . . . 61.0 111.62 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.484 -0.326 . . . . 61.0 111.769 -174.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.62 0.248 . . . . 61.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.58 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.8 pt20 -154.92 146.58 23.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.908 0.385 . . . . 61.0 111.581 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.16 168.68 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.689 -0.687 . . . . 61.0 110.695 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -105.86 139.33 40.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.26 -0.427 . . . . 61.0 110.851 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD11 ' HD3' ' A' ' 43' ' ' LYS . 3.3 mm? -89.29 146.92 37.09 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.14 -0.482 . . . . 61.0 109.941 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.21 -11.36 30.95 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.641 2.227 . . . . 61.0 110.542 172.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.1 -8.49 59.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.941 -1.027 . . . . 61.0 109.914 177.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.3 41.61 7.36 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.837 -0.619 . . . . 61.0 111.994 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -132.02 167.46 19.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.699 -0.482 . . . . 61.0 109.699 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.2 t -113.22 131.6 64.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.191 -0.3 . . . . 61.0 110.191 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.578 ' HB2' HD23 ' A' ' 14' ' ' LEU . 44.0 tp -123.23 103.29 8.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.889 0.376 . . . . 61.0 110.36 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.58 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 3.2 m -91.73 165.47 13.27 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.982 -0.554 . . . . 61.0 109.576 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -64.8 -16.59 63.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.115 0.483 . . . . 61.0 110.614 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.65 -4.64 37.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.823 -0.626 . . . . 61.0 111.282 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -93.24 -0.36 56.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.254 0.549 . . . . 61.0 110.409 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.53 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 77.2 mt -67.7 156.74 88.31 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.467 -0.788 . . . . 61.0 110.561 177.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.75 155.66 36.5 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.784 2.322 . . . . 61.0 111.735 176.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.593 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 18.8 Cg_endo -57.36 147.03 79.94 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.862 2.375 . . . . 61.0 112.508 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD22 ' HB2' ' A' ' 58' ' ' ARG . 94.0 mt -65.29 -24.71 67.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 61.0 111.512 -176.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.609 ' HA ' ' NH2' ' A' ' 31' ' ' ARG . 28.5 t70 -93.61 25.58 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.542 0.687 . . . . 61.0 110.738 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.593 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 88.7 m -81.49 104.56 12.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.17 -0.468 . . . . 61.0 109.901 173.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.609 ' NH2' ' HA ' ' A' ' 29' ' ' ASP . 2.1 tpp180 -110.19 161.18 15.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.033 -0.728 . . . . 61.0 109.033 175.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 4.1 tmt_? 75.63 -53.58 0.64 Allowed 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.667 0.605 . . . . 61.0 109.655 -177.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.401 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 86.8 m95 74.43 156.73 0.18 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 122.058 0.932 . . . . 61.0 113.275 172.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 32.3 m -134.63 164.71 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.621 -1.172 . . . . 61.0 108.661 173.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.59 82.31 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.278 0.473 . . . . 61.0 112.278 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -59.87 -40.34 88.29 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.979 0.362 . . . . 61.0 111.979 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -74.63 -36.27 62.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 61.0 110.354 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 34' ' ' VAL . 98.7 mttt -62.48 -43.56 98.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.97 -0.559 . . . . 61.0 110.187 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.94 84.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.554 -0.748 . . . . 61.0 111.1 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.18 90.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 61.0 111.024 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.8 t -71.4 -47.54 58.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 61.0 111.191 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.552 HG23 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -68.12 -36.93 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.622 -0.263 . . . . 61.0 111.129 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.64 ' HD3' HD11 ' A' ' 14' ' ' LEU . 95.5 mttt -63.05 -37.21 86.29 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.091 -0.337 . . . . 61.0 110.091 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -59.03 -46.85 87.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 61.0 111.012 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.596 HG11 ' HG3' ' A' ' 52' ' ' GLU . 58.3 t -69.91 -43.87 79.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.514 -0.312 . . . . 61.0 111.354 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.21 -27.26 38.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.307 -0.406 . . . . 61.0 111.7 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -87.9 -7.95 56.46 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.73 -0.388 . . . . 61.0 111.175 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.93 9.98 61.83 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.62 -0.8 . . . . 61.0 112.756 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.461 HD22 ' HG ' ' A' ' 20' ' ' LEU . 49.5 tp -67.53 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.089 0.471 . . . . 61.0 110.371 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 31.6 pt -120.32 160.62 20.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.868 -0.606 . . . . 61.0 110.078 179.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 2.0 t -88.11 154.64 20.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.079 -0.51 . . . . 61.0 110.661 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.596 ' HG3' HG11 ' A' ' 45' ' ' VAL . 3.3 mt-10 -52.54 -42.96 64.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.851 -0.613 . . . . 61.0 110.871 176.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -64.1 -28.41 69.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.612 -0.722 . . . . 61.0 110.823 -177.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 51' ' ' THR . 7.1 tp10 -68.18 -52.56 33.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 61.0 109.658 175.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.13 -44.27 92.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.887 -0.597 . . . . 61.0 111.406 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.564 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 41.2 mt -66.01 -33.58 76.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.94 -0.573 . . . . 61.0 111.049 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -78.34 -50.49 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.179 -0.464 . . . . 61.0 111.482 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.426 ' HB2' HD22 ' A' ' 28' ' ' LEU . 10.7 ptm85 -71.39 -32.46 68.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.664 -0.698 . . . . 61.0 112.131 -172.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.53 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 41.4 m-85 -103.28 -2.07 27.76 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.744 -0.382 . . . . 61.0 111.734 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.5 m 60.77 71.51 0.56 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.516 0.674 . . . . 61.0 110.203 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 73.9 mt -127.26 152.92 46.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.379 -0.828 . . . . 61.0 110.502 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -97.7 161.91 13.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 61.0 109.52 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -58.11 -44.97 87.99 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.118 0.485 . . . . 61.0 110.545 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 9.9 pt-20 -61.16 -25.89 67.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.47 -0.786 . . . . 61.0 111.538 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.524 ' HG2' HD21 ' A' ' 61' ' ' LEU . 13.8 tp10 -70.19 -57.32 5.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.25 0.548 . . . . 61.0 109.529 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.75 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.79 -0.641 . . . . 61.0 110.597 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.23 -40.34 85.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.899 0.381 . . . . 61.0 110.589 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 96.9 mt -68.26 -45.36 73.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.968 -0.56 . . . . 61.0 110.237 177.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 25.3 m0 -54.94 -52.09 64.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.175 -0.466 . . . . 61.0 110.954 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.552 ' HA ' HG23 ' A' ' 42' ' ' VAL . 10.4 ptm180 -69.12 -22.58 63.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 61.0 111.537 -175.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.7 m -80.47 -42.86 21.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.699 0.285 . . . . 61.0 110.514 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.34 77.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 61.0 111.478 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.428 HG23 HG11 ' A' ' 42' ' ' VAL . 99.0 t . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.091 -0.504 . . . . 61.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 22' ' ' ARG . 12.5 ptm180 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.523 -0.547 . . . . 61.0 109.523 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.578 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.5 pt20 -154.73 135.84 13.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 61.0 110.729 175.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.6 m -119.9 147.5 23.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.77 -0.65 . . . . 61.0 110.343 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.6 m -90.75 122.38 33.45 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.281 -0.418 . . . . 61.0 110.634 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -64.27 155.96 77.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.631 -0.507 . . . . 61.0 109.631 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.68 -22.95 63.5 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.298 1.999 . . . . 61.0 111.918 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -70.12 -37.74 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.541 -0.754 . . . . 61.0 110.261 175.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.0 1.65 16.68 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.879 -0.888 . . . . 61.0 110.879 -170.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -75.05 165.36 25.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.606 0.362 . . . . 61.0 110.375 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.7 t -113.08 123.78 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.922 0.391 . . . . 61.0 110.944 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.557 ' HB2' HD23 ' A' ' 14' ' ' LEU . 52.5 tp -116.43 100.17 7.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.839 -0.619 . . . . 61.0 109.522 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.578 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 85.2 p -98.82 171.94 7.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.142 -0.481 . . . . 61.0 110.651 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 10' ' ' ARG . 52.4 mtt-85 -72.11 -1.93 16.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.895 -0.593 . . . . 61.0 110.367 175.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.05 -6.33 26.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.448 -0.796 . . . . 61.0 109.917 172.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -93.75 -19.27 21.22 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.911 -0.586 . . . . 61.0 109.737 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.4 mt -55.17 132.88 68.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.703 -0.68 . . . . 61.0 110.064 173.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.36 147.22 95.29 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.294 1.996 . . . . 61.0 111.463 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.552 ' HG2' ' HG1' ' A' ' 30' ' ' THR . 37.4 Cg_endo -66.0 153.76 76.79 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.523 2.148 . . . . 61.0 112.267 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.54 -13.98 61.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.07 0.462 . . . . 61.0 110.343 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.75 -12.76 61.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.414 -0.812 . . . . 61.0 110.607 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.552 ' HG1' ' HG2' ' A' ' 27' ' ' PRO . 60.2 m -84.94 100.12 11.42 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.179 0.514 . . . . 61.0 111.24 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 14.0 tpt180 -104.23 -24.07 13.17 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.815 -0.63 . . . . 61.0 109.363 170.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 32' ' ' ARG . 1.7 ptt180 -80.67 71.21 7.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 122.045 0.926 . . . . 61.0 109.433 174.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -63.74 124.8 22.4 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.99 -1.005 . . . . 61.0 112.233 -175.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -106.57 169.83 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.24 -0.891 . . . . 61.0 109.208 172.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.67 76.61 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.026 0.38 . . . . 61.0 112.026 -175.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.4 t -59.67 -45.05 93.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.454 -0.339 . . . . 61.0 111.877 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -71.11 -35.36 71.75 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.829 -0.348 . . . . 61.0 110.697 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.18 -46.25 81.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.017 0.437 . . . . 61.0 110.246 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.0 81.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.327 -0.851 . . . . 61.0 111.246 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.48 -44.56 84.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.339 -0.391 . . . . 61.0 111.067 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.26 -51.11 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.498 -0.319 . . . . 61.0 111.636 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.7 p -66.32 -39.97 85.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 121.062 -0.255 . . . . 61.0 110.997 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -63.14 -33.43 75.45 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 110.064 -0.347 . . . . 61.0 110.064 176.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.458 ' HB3' HD21 ' A' ' 49' ' ' LEU . . . -62.49 -45.44 93.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 61.0 110.86 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 59.5 t -70.6 -41.38 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.235 -0.439 . . . . 61.0 110.743 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.56 -38.36 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.831 -0.622 . . . . 61.0 111.454 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -82.24 -25.06 34.46 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.033 -0.267 . . . . 61.0 111.503 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.51 5.13 30.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.341 -0.933 . . . . 61.0 113.091 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.522 HD22 ' HG ' ' A' ' 20' ' ' LEU . 44.1 tp -56.97 -57.47 12.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.306 0.574 . . . . 61.0 109.743 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 33.7 pt -126.03 162.69 29.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.47 -0.786 . . . . 61.0 109.296 176.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 4.7 t -87.94 156.21 19.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.405 0.622 . . . . 61.0 110.515 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.7 tt0 -55.8 -42.74 76.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.21 -0.904 . . . . 61.0 110.412 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -68.24 -26.67 65.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.69 -0.687 . . . . 61.0 110.908 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 10.6 tp10 -67.63 -45.27 75.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.601 -0.518 . . . . 61.0 109.601 177.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.46 -46.77 75.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.857 -0.61 . . . . 61.0 110.64 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 68.6 mt -61.54 -32.83 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 61.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -72.93 -58.23 3.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.901 -0.59 . . . . 61.0 111.191 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.2 ptp180 -69.36 -40.97 77.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.098 -0.501 . . . . 61.0 111.993 -173.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -88.39 -0.42 57.16 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.841 -0.343 . . . . 61.0 111.3 -175.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 t 54.81 64.79 1.69 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.645 0.736 . . . . 61.0 109.657 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.509 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 91.1 mt -117.38 163.92 15.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.196 -0.911 . . . . 61.0 110.401 -178.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -114.26 162.61 16.35 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.785 -0.643 . . . . 61.0 109.619 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -62.84 -36.36 82.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.433 0.16 . . . . 61.0 111.433 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.64 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 12.9 pt-20 -60.22 -35.9 76.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 61.0 110.34 175.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.413 ' HG2' HD23 ' A' ' 61' ' ' LEU . 11.5 tp10 -71.56 -55.18 8.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.878 -0.601 . . . . 61.0 110.041 -179.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.406 ' HB2' HD23 ' A' ' 56' ' ' LEU . 59.0 t80 -62.71 -34.04 76.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 61.0 110.824 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.8 73.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.953 0.406 . . . . 61.0 110.541 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 94.2 mt -74.26 -37.67 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 61.0 109.93 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -58.81 -53.61 56.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.424 -0.353 . . . . 61.0 111.038 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.409 ' HA ' HG21 ' A' ' 42' ' ' VAL . 12.3 ptm180 -63.02 -32.26 73.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.662 -0.244 . . . . 61.0 111.346 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -76.64 -28.6 56.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.735 0.302 . . . . 61.0 111.591 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.11 -23.51 19.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.929 0.344 . . . . 61.0 111.929 -177.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.583 0.23 . . . . 61.0 111.333 -179.643 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 121.218 0.533 . . . . 99.989999999999995 109.798 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.7 pt20 -147.03 150.07 34.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.503 -0.771 . . . . 61.0 110.457 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.89 174.46 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.008 -0.542 . . . . 10.720000000000001 109.839 172.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 m -117.46 143.34 46.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.177 0.513 . . . . 17.920000000000002 111.01 -175.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -93.95 146.94 32.6 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.08 -0.509 . . . . 10.15 109.691 176.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.79 -9.07 15.08 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.566 2.177 . . . . 99.989999999999995 111.007 172.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.32 -17.46 54.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.68 -1.145 . . . . 82.609999999999999 110.447 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.0 3.84 56.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.928 -0.654 . . . . 61.0 111.887 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 m -98.57 166.62 11.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.67 -0.265 . . . . 61.0 110.354 -178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.8 t -115.05 133.91 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.98 0.419 . . . . 17.359999999999999 110.638 -177.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.555 ' HB2' HD23 ' A' ' 14' ' ' LEU . 57.8 tp -119.56 105.05 10.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.102 -0.499 . . . . 61.0 110.229 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 67.5 p -100.48 169.42 9.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.205 -0.452 . . . . 61.0 109.856 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.461 ' CZ ' HG22 ' A' ' 50' ' ' ILE . 43.9 mtt-85 -70.94 -22.59 62.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.924 0.393 . . . . 83.150000000000006 111.237 -178.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.54 -14.27 43.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.26 -0.427 . . . . 61.0 110.648 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -82.95 -22.31 33.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 61.0 110.467 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 mt -49.47 145.52 7.76 Favored Pre-proline 0 N--CA 1.465 0.288 0 CA-C-N 115.664 -0.698 . . . . 17.84 111.438 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.66 158.83 18.7 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.205 2.603 . . . . 61.0 112.383 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.67 158.84 55.37 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.551 2.167 . . . . 61.0 112.581 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.1 mt -84.09 -4.35 58.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.398 0.618 . . . . 20.91 109.742 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.04 -19.5 47.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.329 -0.851 . . . . 76.959999999999994 111.425 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.2 m -72.83 117.85 15.04 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.16 -0.473 . . . . 28.129999999999999 111.878 -176.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -110.53 -42.93 3.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.954 -0.758 . . . . 99.989999999999995 108.954 171.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -80.19 78.61 6.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.82 -0.807 . . . . 99.989999999999995 108.82 173.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.7 m95 -64.45 150.94 45.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.083 -0.962 . . . . 5.29 112.604 -176.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.4 m -123.22 161.52 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.008 -0.996 . . . . 17.510000000000002 108.856 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.23 75.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.354 0.502 . . . . 17.0 112.354 -172.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 m -60.09 -41.57 92.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.332 . . . . 32.609999999999999 111.444 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -74.35 -36.52 63.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.767 0.318 . . . . 61.0 110.487 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -61.72 -44.65 96.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.534 . . . . 14.890000000000001 110.381 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.64 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.533 -0.758 . . . . 14.140000000000001 111.1 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.94 -47.67 82.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.3 -0.409 . . . . 11.710000000000001 111.169 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.35 -50.76 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.274 -0.421 . . . . 14.07 111.439 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.519 HG21 ' HA ' ' A' ' 70' ' ' ARG . 12.4 p -67.64 -37.43 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.318 -0.401 . . . . 61.0 111.316 -175.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.9 -30.75 70.17 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.642 0.258 . . . . 28.719999999999999 110.536 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' HB1' HD23 ' A' ' 20' ' ' LEU . . . -62.56 -43.36 98.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 10.27 110.107 177.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 62.4 t -70.75 -41.93 77.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 13.35 111.034 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.48 -33.41 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.328 -0.397 . . . . 61.0 111.477 -177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -86.32 -6.35 58.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 2.3100000000000001 111.327 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.41 26.16 52.26 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.684 -0.77 . . . . 61.0 112.579 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.2 tp -76.3 -55.34 5.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.596 0.712 . . . . 61.0 109.181 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.461 HG22 ' CZ ' ' A' ' 22' ' ' ARG . 33.6 pt -121.89 164.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.798 -1.092 . . . . 61.0 108.518 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -93.71 152.06 19.22 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 119.991 -0.684 . . . . 61.0 109.858 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.575 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.0 tt0 -51.55 -42.71 62.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.257 0.551 . . . . 23.170000000000002 110.871 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' HA ' HD11 ' A' ' 56' ' ' LEU . 13.0 mmm180 -69.64 -25.74 64.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.4 -0.818 . . . . 99.989999999999995 110.436 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 79.1 tt0 -72.96 -41.39 64.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.685 . . . . 37.359999999999999 109.643 178.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.48 92.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.796 -0.638 . . . . 13.15 110.313 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 67.8 mt -59.41 -38.39 80.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.674 -0.694 . . . . 12.67 110.778 177.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.83 -57.5 4.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 41.530000000000001 111.651 -177.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 10.3 ptp180 -69.57 -36.69 76.53 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.14 0.422 . . . . 91.049999999999997 112.14 -172.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -92.87 -2.08 56.18 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.967 -0.293 . . . . 12.300000000000001 111.154 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.3 t 55.83 67.14 1.05 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.683 0.614 . . . . 46.07 110.069 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.465 HD22 ' HG2' ' A' ' 65' ' ' GLU . 84.0 mt -125.39 148.31 48.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.523 -0.762 . . . . 12.390000000000001 110.145 -178.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.4 m -96.44 164.02 12.81 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.793 -0.447 . . . . 11.01 109.793 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.66 -36.95 84.51 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.455 0.169 . . . . 40.850000000000001 111.089 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 10.8 pt-20 -58.56 -21.69 53.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.492 -0.322 . . . . 35.079999999999998 111.063 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.465 ' HG2' HD22 ' A' ' 61' ' ' LEU . 10.6 tp10 -85.91 -60.77 1.92 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 21.57 109.815 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.403 ' CE2' ' HG3' ' A' ' 52' ' ' GLU . 53.6 t80 -60.16 -35.2 74.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.759 -0.655 . . . . 61.0 111.653 -176.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.34 72.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.568 -0.287 . . . . 61.0 110.582 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 80.2 mt -74.94 -40.25 60.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.369 -0.378 . . . . 13.17 110.12 176.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -54.15 -53.14 57.47 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.98 -0.555 . . . . 1.1799999999999999 110.736 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.519 ' HA ' HG21 ' A' ' 42' ' ' VAL . 15.5 ptm180 -66.08 -32.2 73.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 97.849999999999994 111.222 -178.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.8 m -71.99 -28.86 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 61.0 111.474 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.82 -40.58 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.242 0.46 . . . . 17.57 112.242 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.3 t . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 111.981 0.363 . . . . 21.43 111.981 -175.199 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 110.099 -0.334 . . . . 61.0 110.099 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -125.51 118.92 26.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.074 -0.343 . . . . 61.0 110.074 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.2 tt 72.62 -58.18 0.6 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.145 0.903 . . . . 61.0 110.654 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -86.19 82.73 7.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.931 0.396 . . . . 61.0 111.429 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -130.97 97.89 4.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.142 0.496 . . . . 61.0 110.059 171.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.0 t -91.37 87.52 2.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.45 -0.574 . . . . 61.0 109.45 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -89.05 -177.64 5.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 61.0 109.714 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 48' ' ' GLY . . . 109.54 179.87 20.98 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.948 -0.644 . . . . 61.0 111.522 -176.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.23 159.5 47.06 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.728 2.285 . . . . 61.0 112.306 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -71.71 -27.27 62.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.359 0.599 . . . . 61.0 109.79 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.5 pt20 -147.38 130.85 16.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.466 -0.788 . . . . 61.0 110.185 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.4 m -109.54 167.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.84 -0.618 . . . . 61.0 110.415 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.4 m -107.11 145.15 32.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.506 -0.315 . . . . 61.0 110.281 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.746 HD12 ' HD3' ' A' ' 43' ' ' LYS . 2.9 mm? -98.32 156.8 35.38 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.899 -0.408 . . . . 61.0 109.899 177.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.78 -16.02 41.29 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.037 1.825 . . . . 61.0 110.293 174.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.1 -25.05 63.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.616 -1.175 . . . . 61.0 110.431 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.14 2.03 51.4 Favored Glycine 0 N--CA 1.453 -0.175 0 N-CA-C 111.098 -0.801 . . . . 61.0 111.098 -173.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.451 ' C ' HD21 ' A' ' 14' ' ' LEU . 6.4 m -86.04 164.38 17.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.086 -0.557 . . . . 61.0 110.498 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.7 t -111.1 132.69 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.589 -0.522 . . . . 61.0 109.589 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' A' ' 14' ' ' LEU . 61.4 tp -119.09 96.86 5.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.97 0.414 . . . . 61.0 110.026 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.544 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.6 p -87.99 173.1 9.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.142 -0.481 . . . . 61.0 109.972 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -75.36 -1.26 22.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.265 0.555 . . . . 61.0 110.1 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.38 -14.12 17.72 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.489 -0.778 . . . . 61.0 110.598 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -78.99 -17.0 56.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.202 -0.453 . . . . 61.0 111.168 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.9 mt -54.19 137.21 58.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 61.0 111.06 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.16 157.63 33.99 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.23 2.62 . . . . 61.0 111.956 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.458 ' O ' HG23 ' A' ' 30' ' ' THR . 32.3 Cg_exo -58.6 152.33 56.44 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.76 2.307 . . . . 61.0 112.385 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -80.91 -24.4 38.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.193 -0.458 . . . . 61.0 110.341 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -80.78 -15.68 55.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.683 -0.689 . . . . 61.0 111.329 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 27' ' ' PRO . 3.7 t -72.9 137.68 45.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.248 0.546 . . . . 61.0 110.422 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -124.99 -23.51 4.23 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.279 0.561 . . . . 61.0 109.596 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -74.27 80.47 1.83 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.733 0.777 . . . . 61.0 109.05 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -78.92 97.75 6.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.065 -0.971 . . . . 61.0 112.167 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.9 m -78.56 165.84 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.621 -0.718 . . . . 61.0 109.973 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.02 77.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.041 0.386 . . . . 61.0 112.041 -175.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.5 m -64.54 -34.98 79.51 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.007 0.373 . . . . 61.0 112.007 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -71.86 -39.45 69.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 61.0 110.431 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -64.02 -41.58 97.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.059 -0.519 . . . . 61.0 109.974 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.7 -45.75 91.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.635 -0.711 . . . . 61.0 111.206 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.01 81.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 61.0 111.317 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.14 -49.38 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 61.0 111.39 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.528 HG23 ' HA ' ' A' ' 70' ' ' ARG . 13.6 p -67.93 -38.84 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.888 -0.325 . . . . 61.0 111.212 -176.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.746 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.8 mttt -62.93 -33.99 76.52 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.729 0.299 . . . . 61.0 110.233 177.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.31 -47.42 86.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 61.0 110.675 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.4 t -65.6 -45.58 91.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.157 -0.474 . . . . 61.0 110.833 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 42' ' ' VAL . 83.5 mt -61.38 -40.37 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.585 . . . . 61.0 111.527 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -84.94 -1.95 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.903 0.334 . . . . 61.0 111.903 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' HA3' ' A' ' 8' ' ' GLY . . . 80.73 22.35 62.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.552 -0.832 . . . . 61.0 112.595 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD21 ' HG ' ' A' ' 20' ' ' LEU . 35.7 tp -73.42 -46.39 48.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.15 -0.685 . . . . 61.0 109.15 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.1 pt -133.73 -179.59 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.825 -1.08 . . . . 61.0 108.647 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.6 t -109.29 155.48 21.1 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.322 -0.551 . . . . 61.0 110.265 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.7 tt0 -54.38 -43.89 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.065 -176.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -70.04 -20.09 63.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.406 . . . . 61.0 111.975 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 4.6 tp10 -78.28 -37.29 45.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.15 0.5 . . . . 61.0 109.81 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.83 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.806 -0.634 . . . . 61.0 110.471 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.527 HD23 ' HB2' ' A' ' 66' ' ' PHE . 53.1 mt -61.11 -34.69 75.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.734 -0.666 . . . . 61.0 110.443 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.84 -54.48 18.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.323 -0.853 . . . . 61.0 111.544 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.7 ptp180 -77.07 -32.48 56.8 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.493 0.553 . . . . 61.0 112.493 -171.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -97.27 1.89 50.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.808 -0.357 . . . . 61.0 111.336 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.4 m 57.69 66.24 1.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.289 0.566 . . . . 61.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.476 HD21 ' HG2' ' A' ' 65' ' ' GLU . 62.4 mt -125.76 164.14 21.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.641 . . . . 61.0 111.115 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 18.4 m -103.72 162.19 13.29 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.117 -0.697 . . . . 61.0 109.117 172.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -67.27 -34.8 78.18 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.817 0.342 . . . . 61.0 110.694 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.77 -29.46 70.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.002 0.429 . . . . 61.0 110.653 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' HG2' HD21 ' A' ' 61' ' ' LEU . 19.1 tp10 -67.18 -51.65 50.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.761 -0.654 . . . . 61.0 109.349 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.527 ' HB2' HD23 ' A' ' 56' ' ' LEU . 57.5 t80 -60.59 -33.13 72.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.608 -0.724 . . . . 61.0 110.503 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.37 82.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.096 -0.502 . . . . 61.0 110.537 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.47 -44.92 77.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.09 -0.505 . . . . 61.0 110.051 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -56.64 -53.31 59.18 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.963 -0.562 . . . . 61.0 111.287 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.528 ' HA ' HG23 ' A' ' 42' ' ' VAL . 15.4 ptt180 -66.02 -27.79 68.38 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.062 -0.255 . . . . 61.0 111.468 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.2 m -79.8 -28.62 40.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.536 0.208 . . . . 61.0 111.212 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.19 -15.82 34.97 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.721 0.267 . . . . 61.0 111.721 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.7 t -115.89 -67.97 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.793 0.33 . . . . 61.0 111.722 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.25 -37.61 69.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.355 0.502 . . . . 61.0 112.355 -169.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.551 ' HB1' HD11 ' A' ' 92' ' ' LEU . . . -117.82 22.01 12.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.475 -0.33 . . . . 61.0 111.737 -174.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -84.24 -8.88 58.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.266 0.555 . . . . 61.0 110.283 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.31 47.09 3.27 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.741 -0.743 . . . . 61.0 111.849 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -86.3 17.54 3.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.956 0.408 . . . . 61.0 111.042 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -62.88 -45.3 93.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.835 -0.62 . . . . 61.0 109.468 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.84 130.44 16.88 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.236 -0.893 . . . . 61.0 109.739 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.98 85.87 3.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.399 0.619 . . . . 61.0 110.188 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -55.9 153.1 9.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.017 -0.992 . . . . 61.0 109.272 173.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -53.78 -31.42 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.192 0.52 . . . . 61.0 111.23 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.5 m -84.83 -13.76 50.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.387 0.613 . . . . 61.0 111.15 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.519 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 58.4 tpp -74.11 -25.17 59.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.524 . . . . 61.0 110.616 -176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.448 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 4.9 mp -66.29 -36.6 77.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.52 -0.548 . . . . 61.0 109.52 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -61.05 -37.53 82.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.058 -0.519 . . . . 61.0 109.848 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 85' ' ' MET . 30.3 mmtp -53.72 -53.53 50.83 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.696 -0.684 . . . . 61.0 109.97 174.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.445 ' HE1' ' HB2' ' A' ' 75' ' ' ALA . 29.1 m-85 -74.18 -11.51 60.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.82 -0.627 . . . . 61.0 112.001 -175.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 86' ' ' ILE . 92.7 mtt180 -81.9 -36.48 28.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.749 0.309 . . . . 61.0 110.633 177.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -94.89 -35.42 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.326 -0.397 . . . . 61.0 110.621 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.551 HD11 ' HB1' ' A' ' 75' ' ' ALA . 7.1 tt -77.58 122.43 25.27 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.791 -0.818 . . . . 61.0 108.791 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -103.0 119.56 39.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.913 0.387 . . . . 61.0 111.298 -176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 73.68 88.22 0.1 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.891 -1.049 . . . . 61.0 111.765 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.8 t60 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.346 -0.835 . . . . 61.0 109.484 173.37 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.562 ' HB3' HD23 ' A' ' 3' ' ' LEU . 65.4 mtt . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.332 0.111 . . . . 61.0 111.092 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 67.74 -87.47 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 122.748 0.419 . . . . 61.0 110.039 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.562 HD23 ' HB3' ' A' ' 1' ' ' MET . 3.7 mm? 51.46 66.16 1.27 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.014 0.525 . . . . 61.0 112.181 -177.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.64 34.75 2.68 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.936 -0.765 . . . . 61.0 108.936 171.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -78.31 101.73 7.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.569 -0.741 . . . . 61.0 111.717 -173.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.9 -24.07 5.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 107.867 -1.16 . . . . 61.0 107.867 168.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 t70 65.52 83.59 0.17 Allowed 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 113.943 -1.481 . . . . 61.0 111.074 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.75 -178.42 18.39 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.654 -0.703 . . . . 61.0 112.083 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 8.9 Cg_exo -71.82 171.47 16.47 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.882 2.388 . . . . 61.0 111.889 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -100.32 -19.58 16.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.213 -0.449 . . . . 61.0 111.24 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.557 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.1 pt20 -148.7 145.15 27.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 61.0 110.92 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -131.45 160.05 42.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.043 -0.526 . . . . 61.0 110.719 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m -91.68 144.36 25.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.13 -0.486 . . . . 61.0 110.634 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.677 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.5 mm? -100.96 157.91 32.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 61.0 110.342 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.43 -17.91 43.89 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.238 1.959 . . . . 61.0 110.146 171.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.95 -10.31 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.517 -1.22 . . . . 61.0 110.075 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.5 0.34 73.12 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 115.97 -0.559 . . . . 61.0 112.425 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.89 173.24 10.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.788 0.328 . . . . 61.0 111.224 -177.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.1 t -117.13 124.43 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 61.0 109.787 174.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.582 ' HB2' HD23 ' A' ' 14' ' ' LEU . 34.1 tp -112.26 106.47 15.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.128 -0.487 . . . . 61.0 110.002 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.557 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 78.5 p -96.15 169.53 9.89 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.034 -0.728 . . . . 61.0 109.034 175.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 22' ' ' ARG . 14.1 mtp180 -68.94 -14.59 63.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.322 0.582 . . . . 61.0 110.173 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.93 -18.22 33.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.688 -0.687 . . . . 61.0 110.57 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' HB2' HD13 ' A' ' 20' ' ' LEU . 9.8 m-20 -81.1 -11.9 59.38 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.156 -0.474 . . . . 61.0 110.625 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.546 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 66.4 mt -60.62 139.89 92.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.843 -0.617 . . . . 61.0 110.794 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.99 157.65 28.3 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.347 2.698 . . . . 61.0 112.76 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.589 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 20.6 Cg_endo -59.74 140.89 95.59 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.033 2.488 . . . . 61.0 112.601 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.35 -28.7 69.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.517 -0.765 . . . . 61.0 111.659 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -84.15 13.85 4.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.403 0.62 . . . . 61.0 111.066 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.589 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 63.4 m -78.84 114.46 17.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.171 0.51 . . . . 61.0 110.372 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -111.37 -43.0 3.77 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.807 -0.812 . . . . 61.0 108.807 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -81.03 73.48 8.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.887 0.851 . . . . 61.0 109.788 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -65.85 136.88 56.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.663 -1.153 . . . . 61.0 112.296 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.3 m -104.76 168.56 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.593 -0.73 . . . . 61.0 109.261 171.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.92 82.37 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.112 0.412 . . . . 61.0 112.112 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.0 m -60.9 -39.59 89.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.894 0.331 . . . . 61.0 111.894 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -71.66 -39.03 70.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.621 0.248 . . . . 61.0 110.648 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -62.55 -45.34 93.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.926 0.393 . . . . 61.0 110.495 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.9 87.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 61.0 111.408 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.51 84.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 61.0 111.325 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.4 t -69.14 -50.91 48.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.347 -0.388 . . . . 61.0 111.396 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.34 -37.07 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.621 -0.263 . . . . 61.0 110.917 -177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.677 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.7 mttt -63.81 -39.26 93.8 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.552 0.215 . . . . 61.0 110.518 176.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.458 ' HB1' HD23 ' A' ' 20' ' ' LEU . . . -58.12 -46.45 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 61.0 110.707 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.37 -48.08 78.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.06 -0.518 . . . . 61.0 111.258 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.06 -31.39 53.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.019 -0.537 . . . . 61.0 111.994 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -83.68 -17.63 40.77 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.845 -0.342 . . . . 61.0 111.348 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.73 16.96 32.09 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.49 -0.862 . . . . 61.0 112.987 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.6 tp -72.28 -53.75 11.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.471 -0.566 . . . . 61.0 109.471 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.9 pt -124.85 173.81 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.296 -0.866 . . . . 61.0 109.219 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.42 HG21 ' H ' ' A' ' 54' ' ' GLU . 2.7 t -99.28 151.03 21.5 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.288 0.566 . . . . 61.0 111.076 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 29.6 tt0 -54.08 -40.41 67.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.734 -1.121 . . . . 61.0 110.402 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -64.75 -35.82 82.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.071 -0.968 . . . . 61.0 110.793 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 28.1 tt0 -68.11 -48.33 65.75 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.998 -0.546 . . . . 61.0 109.876 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.27 -44.57 71.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.56 . . . . 61.0 111.051 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 24.3 mt -62.39 -46.16 89.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.001 -0.545 . . . . 61.0 110.656 178.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -67.98 -49.69 60.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.863 -0.608 . . . . 61.0 111.513 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 14.9 ptm180 -73.04 -30.37 63.69 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.476 0.547 . . . . 61.0 112.476 -173.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.546 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 47.5 m-85 -104.84 5.11 32.83 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.708 -0.397 . . . . 61.0 111.646 -177.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 m 63.28 30.16 15.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.363 0.602 . . . . 61.0 110.651 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 65.1 mt -87.48 145.57 26.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.859 -0.609 . . . . 61.0 110.471 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 35.5 m -90.54 162.34 15.07 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.497 -0.557 . . . . 61.0 109.497 173.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -63.42 -38.39 90.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.371 -0.377 . . . . 61.0 110.758 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.59 -26.21 64.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.331 -0.395 . . . . 61.0 111.247 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 62' ' ' SER . 6.9 tp10 -65.46 -58.15 6.54 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.36 -0.608 . . . . 61.0 109.36 175.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.82 -29.96 69.8 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.766 -0.652 . . . . 61.0 110.594 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.68 83.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.144 -0.48 . . . . 61.0 110.911 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.18 -41.41 70.37 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.458 -0.337 . . . . 61.0 110.369 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.9 m0 -55.39 -53.39 56.87 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.8 -0.636 . . . . 61.0 110.351 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.427 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 12.3 ptm180 -71.31 -19.5 62.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.788 -0.642 . . . . 61.0 111.01 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.8 t -70.32 -40.15 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.427 . . . . 61.0 109.94 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.42 -45.52 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.029 -0.532 . . . . 61.0 111.568 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.81 -49.84 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.073 0.397 . . . . 61.0 112.073 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 70' ' ' ARG . . . -80.71 19.4 0.83 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.927 0.394 . . . . 61.0 111.329 -175.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.52 12.56 4.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.605 0.717 . . . . 61.0 109.53 173.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -77.88 108.01 10.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.117 -0.947 . . . . 61.0 110.814 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.89 101.92 1.24 Allowed Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.383 -0.687 . . . . 61.0 111.383 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.508 ' OE1' ' HG2' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -88.12 -25.58 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.157 0.503 . . . . 61.0 109.907 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.508 ' HG2' ' OE1' ' A' ' 78' ' ' GLU . 12.8 pttm -93.26 -58.27 2.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.502 -0.772 . . . . 61.0 111.033 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -173.82 156.13 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.862 -0.421 . . . . 61.0 109.862 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.25 83.81 1.86 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.219 0.533 . . . . 61.0 110.338 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.572 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 87.3 tttt -100.65 159.13 15.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.022 -0.99 . . . . 61.0 109.268 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.497 ' HA ' HD12 ' A' ' 86' ' ' ILE . 9.1 p -49.66 -38.4 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 112.206 0.447 . . . . 61.0 112.206 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.2 m -75.45 -33.27 60.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.173 0.511 . . . . 61.0 111.335 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.572 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 0.8 OUTLIER -71.47 -30.2 65.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.019 -0.537 . . . . 61.0 111.599 -174.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 83' ' ' VAL . 3.0 mt -55.23 -44.37 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.583 0.23 . . . . 61.0 111.229 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -67.23 -30.24 70.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.762 0.315 . . . . 61.0 110.526 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 92' ' ' LEU . 29.8 mtpp -74.36 -17.57 60.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.422 -0.354 . . . . 61.0 110.954 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -93.86 -45.1 7.79 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.11 -0.329 . . . . 61.0 110.11 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -62.02 -43.95 97.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.299 0.571 . . . . 61.0 110.597 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.48 58.51 0.76 Allowed 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.268 -1.012 . . . . 61.0 108.268 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -63.4 100.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.286 -0.87 . . . . 61.0 111.062 -177.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -102.99 -44.0 5.35 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.825 -0.625 . . . . 61.0 109.339 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -166.79 147.11 5.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.53 -0.759 . . . . 61.0 109.11 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.053 -0.975 . . . . 61.0 111.169 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.754 0.311 . . . . 61.0 110.62 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -128.19 4.48 5.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.969 -0.56 . . . . 61.0 110.391 176.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.9 mt -81.31 -64.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.964 0.411 . . . . 61.0 110.522 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -104.16 13.93 31.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.994 -0.548 . . . . 61.0 111.132 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -142.37 100.58 3.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.09 0.471 . . . . 61.0 110.784 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.5 t -98.56 102.01 12.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.266 -0.642 . . . . 61.0 109.266 173.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.28 138.3 57.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.791 -0.64 . . . . 61.0 109.806 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.68 137.25 43.34 Favored Glycine 0 N--CA 1.452 -0.243 0 CA-C-N 115.946 -0.57 . . . . 61.0 112.204 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HG2' ' O ' ' A' ' 48' ' ' GLY . 75.7 Cg_exo -48.05 128.46 16.72 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.883 2.388 . . . . 61.0 111.963 -176.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.487 ' HA ' ' CD ' ' A' ' 22' ' ' ARG . 97.0 mtt180 -98.58 -15.32 19.54 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.816 -0.629 . . . . 61.0 110.961 -173.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 14.0 pt20 -164.01 142.29 7.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 61.0 110.707 175.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.9 m -129.85 162.44 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.791 -0.64 . . . . 61.0 110.087 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.3 m -95.74 136.24 36.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.846 0.355 . . . . 61.0 111.011 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.747 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.0 mm? -85.52 161.47 51.13 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 61.0 109.966 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.791 ' HD3' ' HE2' ' A' ' 47' ' ' HIS . 14.3 Cg_exo -68.88 -16.84 41.65 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.218 1.946 . . . . 61.0 110.127 172.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.38 -17.94 61.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.302 -1.317 . . . . 61.0 110.258 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.41 -5.48 67.65 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.337 -0.705 . . . . 61.0 111.337 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.43 ' C ' HD21 ' A' ' 14' ' ' LEU . 1.4 m -78.69 168.89 19.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.339 -0.43 . . . . 61.0 110.636 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.5 t -108.55 131.68 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.936 0.398 . . . . 61.0 110.125 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.551 ' HB2' HD23 ' A' ' 14' ' ' LEU . 63.2 tp -113.11 97.21 6.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.526 . . . . 61.0 110.251 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.466 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 97.1 p -88.24 173.02 9.03 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.737 -0.468 . . . . 61.0 109.737 177.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.487 ' CD ' ' HA ' ' A' ' 10' ' ' ARG . 74.2 mtp85 -70.42 -11.29 60.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.033 0.445 . . . . 61.0 110.682 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.15 -4.8 34.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.674 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.419 ' CB ' HD13 ' A' ' 20' ' ' LEU . 3.6 m-20 -83.82 -15.6 47.72 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.268 -0.423 . . . . 61.0 110.575 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.42 141.02 88.18 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-N 116.092 -0.504 . . . . 61.0 110.405 175.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.32 146.08 93.33 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.776 2.317 . . . . 61.0 111.87 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.46 154.38 59.6 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.014 2.476 . . . . 61.0 112.615 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.62 -9.15 56.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 61.0 111.068 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -83.7 -8.51 59.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 61.0 110.689 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.5 m -79.19 101.25 7.85 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.148 -0.478 . . . . 61.0 111.071 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -32.82 9.58 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.78 -0.822 . . . . 61.0 108.78 171.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.86 80.63 4.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.54 -0.911 . . . . 61.0 108.54 173.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -74.59 118.76 17.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.109 -0.951 . . . . 61.0 112.585 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -96.52 162.92 2.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.764 -0.653 . . . . 61.0 109.377 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.02 -42.04 75.88 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.374 0.509 . . . . 61.0 112.374 -175.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 p -62.43 -43.8 97.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.644 0.239 . . . . 61.0 111.644 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -70.62 -35.57 73.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.661 0.267 . . . . 61.0 110.474 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -62.78 -43.96 97.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 61.0 110.304 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.452 ' HA ' HG23 ' A' ' 73' ' ' VAL . . . -58.69 -42.94 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.541 -0.754 . . . . 61.0 111.089 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.29 -43.03 82.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.438 -0.347 . . . . 61.0 111.057 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.0 t -66.13 -51.61 57.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.048 -0.524 . . . . 61.0 111.326 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.537 HG23 ' HA ' ' A' ' 70' ' ' ARG . 12.4 p -69.38 -35.84 69.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 61.0 111.431 -175.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.747 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.4 mttt -62.22 -34.34 76.28 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.879 0.371 . . . . 61.0 110.052 176.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.46 95.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.551 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 67.0 t -67.33 -42.52 87.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.966 0.412 . . . . 61.0 110.706 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.09 -39.23 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 61.0 111.607 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.791 ' HE2' ' HD3' ' A' ' 15' ' ' PRO . 83.3 m-70 -83.15 -15.27 51.3 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.782 -0.367 . . . . 61.0 111.523 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.444 ' O ' ' HG2' ' A' ' 9' ' ' PRO . . . 93.55 24.75 20.3 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.384 -0.912 . . . . 61.0 113.018 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.479 HD21 ' HG ' ' A' ' 20' ' ' LEU . 44.2 tp -75.64 -46.38 31.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.118 -0.697 . . . . 61.0 109.118 175.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.428 ' HB ' ' HG2' ' A' ' 54' ' ' GLU . 39.1 pt -132.32 168.98 22.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.916 -1.038 . . . . 61.0 109.09 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.548 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 5.2 t -95.82 157.84 15.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.035 0.445 . . . . 61.0 110.359 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 33.2 tt0 -57.36 -40.98 79.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.915 -0.584 . . . . 61.0 110.723 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -69.66 -22.55 63.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.534 . . . . 61.0 110.993 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 6.2 tp10 -68.61 -48.24 64.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.108 -0.701 . . . . 61.0 109.108 173.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.81 86.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.38 -0.827 . . . . 61.0 111.002 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.523 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 62.0 mt -63.33 -31.05 72.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 61.0 110.827 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.51 -60.3 2.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.096 -0.502 . . . . 61.0 111.225 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm85 -64.3 -30.51 71.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 61.0 111.986 -173.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -104.02 3.17 33.07 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.684 -0.406 . . . . 61.0 110.993 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.0 m 55.32 52.48 11.37 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.316 0.579 . . . . 61.0 110.742 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.523 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 73.6 mt -105.98 148.65 27.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.694 -0.685 . . . . 61.0 110.326 -177.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -92.51 160.99 14.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.144 -0.48 . . . . 61.0 109.761 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -62.24 -35.75 79.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.017 0.437 . . . . 61.0 110.444 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.88 -36.13 74.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.689 -0.687 . . . . 61.0 111.323 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -73.51 -52.92 11.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 61.0 110.229 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -61.97 -30.62 71.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.309 -0.405 . . . . 61.0 110.966 -177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.78 87.81 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.953 0.406 . . . . 61.0 110.312 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.92 -45.58 77.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.769 -0.651 . . . . 61.0 110.049 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -52.42 -56.71 13.16 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.818 -0.628 . . . . 61.0 111.315 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.537 ' HA ' HG23 ' A' ' 42' ' ' VAL . 4.6 ptm180 -64.67 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 61.0 111.448 -175.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 m -74.93 -31.47 61.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.663 0.268 . . . . 61.0 111.087 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.26 -45.47 16.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.714 0.292 . . . . 61.0 111.326 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.452 HG23 ' HA ' ' A' ' 39' ' ' ALA . 67.6 t -73.19 -36.41 49.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.379 -0.373 . . . . 61.0 111.765 -175.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . . . -69.1 -31.93 70.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.822 0.344 . . . . 61.0 110.645 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.7 -18.44 54.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 61.0 110.778 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -65.91 129.0 38.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 61.0 109.697 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.58 35.76 59.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.806 -0.712 . . . . 61.0 112.023 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.583 ' HG3' ' HG3' ' A' ' 79' ' ' LYS . 5.1 pt-20 -54.55 -29.25 50.45 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 123.155 0.582 . . . . 61.0 112.534 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.583 ' HG3' ' HG3' ' A' ' 78' ' ' GLU . 48.9 mttm -94.22 7.38 45.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.956 0.408 . . . . 61.0 110.975 -172.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.12 113.86 27.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.1 -0.5 . . . . 61.0 109.711 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.1 mp -112.58 66.55 0.65 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.205 0.526 . . . . 61.0 110.838 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -82.22 161.75 22.61 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.748 -0.834 . . . . 61.0 108.748 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 p -52.6 -29.03 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 N-CA-C 112.499 0.555 . . . . 61.0 112.499 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.774 ' HB ' ' HA ' ' A' ' 15' ' ' PRO . 1.4 m -93.98 2.94 55.99 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.09 0.471 . . . . 61.0 111.534 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 17.6 mmt -92.97 -23.88 18.56 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.086 -0.384 . . . . 61.0 111.918 -176.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 4.6 mp -61.37 -41.24 89.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.657 -0.247 . . . . 61.0 111.303 -173.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -57.34 -32.26 66.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.969 0.414 . . . . 61.0 110.751 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.441 ' HE2' ' HA ' ' A' ' 74' ' ' ALA . 7.2 mtpm? -61.84 -35.67 78.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.266 -0.424 . . . . 61.0 110.895 177.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -90.79 -9.04 47.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.058 -0.519 . . . . 61.0 110.913 -175.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.437 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 9.3 mmt180 -98.94 -25.34 14.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.169 -0.468 . . . . 61.0 111.142 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -91.12 -20.97 21.44 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.062 -0.718 . . . . 61.0 109.062 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 tt -74.29 79.9 1.84 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.726 -1.213 . . . . 61.0 107.726 169.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -169.17 79.34 0.12 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.381 -1.281 . . . . 61.0 108.424 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.9 p80 47.83 -174.87 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.395 1.078 . . . . 61.0 112.088 -170.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 . . . . . 0 C--O 1.243 0.742 0 CA-C-O 118.61 -0.709 . . . . 61.0 109.352 178.279 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttt . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.809 0.337 . . . . 61.0 110.218 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -87.13 145.78 26.3 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.401 -0.592 . . . . 61.0 109.401 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.11 85.05 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.469 -0.567 . . . . 61.0 109.469 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -103.74 88.07 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.435 0.636 . . . . 61.0 109.535 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -159.08 159.32 34.46 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.299 -1.0 . . . . 61.0 108.299 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.0 t -72.61 94.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.303 0.573 . . . . 61.0 109.672 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -99.7 91.84 5.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.592 -0.731 . . . . 61.0 109.352 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.09 -153.67 20.67 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.545 -0.836 . . . . 61.0 112.349 -177.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -74.95 143.45 29.27 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.776 2.317 . . . . 61.0 111.607 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -91.11 -16.1 28.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.607 -0.27 . . . . 61.0 110.627 176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.487 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.7 pt20 -144.16 144.62 31.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.885 0.374 . . . . 61.0 111.07 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.432 HG22 ' HB3' ' A' ' 20' ' ' LEU . 18.2 m -133.52 175.35 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.748 -0.66 . . . . 61.0 109.49 172.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.0 m -109.38 144.61 37.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.923 0.392 . . . . 61.0 111.03 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -94.55 156.86 38.03 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 61.0 110.234 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.818 ' HB3' HG22 ' A' ' 84' ' ' THR . 15.3 Cg_exo -69.22 -4.82 14.43 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.754 2.303 . . . . 61.0 110.476 172.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -96.18 -0.97 49.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.695 -1.139 . . . . 61.0 110.192 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.9 2.84 77.63 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 121.11 -0.567 . . . . 61.0 112.771 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.472 ' HB ' HD21 ' A' ' 14' ' ' LEU . 1.9 m -92.02 168.24 11.53 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.879 -0.189 . . . . 61.0 110.974 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.4 t -108.22 128.82 63.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 109.861 -0.422 . . . . 61.0 109.861 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.568 ' HB2' HD23 ' A' ' 14' ' ' LEU . 61.9 tp -110.71 106.39 15.59 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.066 -0.516 . . . . 61.0 109.881 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.487 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 91.9 p -95.3 166.65 11.79 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.435 -0.579 . . . . 61.0 109.435 177.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.503 ' NH1' HG23 ' A' ' 50' ' ' ILE . 60.5 mtp85 -73.19 -2.39 21.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.062 0.458 . . . . 61.0 110.325 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.95 -16.68 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.531 -0.759 . . . . 61.0 110.471 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.461 ' HB2' HD13 ' A' ' 20' ' ' LEU . 24.8 m-20 -79.86 -11.98 59.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.257 -0.429 . . . . 61.0 110.674 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -59.23 130.24 86.93 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 61.0 110.327 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.12 156.17 17.04 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.544 2.829 . . . . 61.0 112.648 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 22.0 Cg_endo -61.44 156.41 46.77 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.121 2.548 . . . . 61.0 112.525 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -81.58 1.32 34.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.017 -0.538 . . . . 61.0 110.601 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.9 -0.18 51.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 61.0 110.499 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.402 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 87.6 m -85.09 124.0 31.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.993 -0.549 . . . . 61.0 111.79 -175.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 31' ' ' ARG . 2.1 mmt180 -126.16 -22.53 4.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.046 -0.524 . . . . 61.0 110.285 167.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -78.81 69.47 4.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.857 0.837 . . . . 61.0 108.873 169.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -72.71 106.95 4.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.976 -1.011 . . . . 61.0 112.059 -173.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -80.59 166.21 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.514 -0.55 . . . . 61.0 109.514 171.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.21 -38.45 79.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.122 0.264 . . . . 61.0 111.241 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -57.15 -45.71 83.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.92 -0.582 . . . . 61.0 111.488 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -75.82 -38.39 58.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.155 -0.475 . . . . 61.0 110.775 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -62.27 -44.2 97.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 61.0 110.195 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.442 ' HA ' HG22 ' A' ' 73' ' ' VAL . . . -59.01 -44.17 91.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.691 . . . . 61.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 -42.9 80.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.409 -0.359 . . . . 61.0 111.327 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.97 -53.62 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.395 -0.366 . . . . 61.0 111.309 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.425 HG11 ' HB ' ' A' ' 73' ' ' VAL . 13.7 p -67.1 -37.6 79.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 116.37 -0.377 . . . . 61.0 111.236 -175.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.634 ' HD3' HD12 ' A' ' 14' ' ' LEU . 96.9 mttt -65.98 -30.12 70.62 Favored 'General case' 0 CA--C 1.523 -0.09 0 O-C-N 122.309 -0.245 . . . . 61.0 110.484 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.22 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 61.0 110.499 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 50' ' ' ILE . 53.5 t -71.64 -39.71 69.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.019 0.438 . . . . 61.0 110.663 178.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.633 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 84.9 mt -70.25 -32.91 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.896 -0.593 . . . . 61.0 111.976 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.591 ' HE2' ' HD3' ' A' ' 15' ' ' PRO . 84.3 m-70 -90.69 -1.15 57.88 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.995 -0.441 . . . . 61.0 111.92 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.07 37.33 22.23 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.55 -0.833 . . . . 61.0 112.62 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.7 tp -95.87 -45.54 6.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.484 0.659 . . . . 61.0 109.661 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.503 HG23 ' NH1' ' A' ' 22' ' ' ARG . 34.0 pt -132.35 173.85 14.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.093 -0.958 . . . . 61.0 109.154 175.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 t -105.28 155.15 19.35 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.118 -0.327 . . . . 61.0 110.118 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 19.9 tt0 -54.28 -43.32 70.94 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.038 0.446 . . . . 61.0 110.571 -177.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.415 ' NH2' ' HE1' ' A' ' 95' ' ' HIS . 33.7 mmt180 -66.68 -27.34 67.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.859 -0.61 . . . . 61.0 111.734 -177.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 26.1 tt0 -73.8 -39.9 63.77 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.387 -0.597 . . . . 61.0 109.387 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.74 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.699 -0.682 . . . . 61.0 110.171 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.547 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 65.6 mt -63.46 -37.17 86.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.478 -0.783 . . . . 61.0 110.815 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.59 -56.17 8.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.966 -0.561 . . . . 61.0 111.769 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 7.5 ptp180 -69.77 -22.91 63.31 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.264 0.468 . . . . 61.0 112.264 -172.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.524 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 62.2 m-85 -107.94 -0.31 21.48 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.712 -0.395 . . . . 61.0 112.014 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.9 t 60.6 46.56 9.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.671 0.748 . . . . 61.0 109.888 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.556 HD21 ' HG2' ' A' ' 65' ' ' GLU . 41.6 mt -102.38 160.26 14.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.517 -0.765 . . . . 61.0 110.027 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.2 m -116.88 170.95 8.22 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.645 -0.502 . . . . 61.0 109.645 176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -54.15 -42.58 69.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.426 0.155 . . . . 61.0 111.348 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -51.56 -36.39 44.99 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.158 -0.473 . . . . 61.0 111.624 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.556 ' HG2' HD21 ' A' ' 61' ' ' LEU . 7.3 tp10 -74.73 -62.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.735 -0.666 . . . . 61.0 110.184 -176.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.512 ' HB2' HD21 ' A' ' 56' ' ' LEU . 42.5 t80 -61.95 -32.54 72.97 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.759 -0.655 . . . . 61.0 111.502 -173.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.53 -36.68 81.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.742 0.306 . . . . 61.0 110.851 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.39 -37.56 60.47 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.137 -0.483 . . . . 61.0 110.323 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -57.02 -48.65 77.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.936 -0.575 . . . . 61.0 110.745 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -74.78 -23.66 58.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.911 -0.315 . . . . 61.0 110.978 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 46.4 t -64.16 -31.15 72.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.259 0.552 . . . . 61.0 109.656 173.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.85 -53.72 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.992 -0.549 . . . . 61.0 111.389 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 39' ' ' ALA . 58.3 t -83.76 -45.91 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.782 0.66 . . . . 61.0 112.782 -171.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.65 -44.37 67.26 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.063 -0.398 . . . . 61.0 110.511 -177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 71' ' ' SER . . . -75.53 2.99 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 61.0 111.154 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -74.68 111.96 10.4 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.059 -0.719 . . . . 61.0 109.059 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.52 23.8 22.93 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.975 -0.631 . . . . 61.0 111.744 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.7 -18.15 64.2 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.805 0.336 . . . . 61.0 111.516 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -80.97 -15.23 56.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 61.0 110.866 -175.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.8 103.69 7.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.43 -0.35 . . . . 61.0 110.846 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.546 ' HG ' ' HH ' ' A' ' 89' ' ' TYR . 8.8 mp -79.77 77.56 6.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.299 0.571 . . . . 61.0 110.449 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.565 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 38.8 ttmt -81.53 163.3 22.77 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.962 -0.755 . . . . 61.0 108.962 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.508 ' HA ' HD13 ' A' ' 86' ' ' ILE . 12.9 p -51.47 -33.47 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.958 0.409 . . . . 61.0 111.748 -177.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.818 HG22 ' HB3' ' A' ' 15' ' ' PRO . 2.0 m -71.46 -25.1 62.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.236 0.541 . . . . 61.0 111.302 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.565 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 0.9 OUTLIER -74.24 -23.95 59.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.153 -0.476 . . . . 61.0 111.379 -176.363 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 83' ' ' VAL . 3.5 mp -64.39 -28.2 44.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.527 -0.306 . . . . 61.0 111.034 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.451 ' HA ' ' HG2' ' A' ' 90' ' ' ARG . 36.0 tt0 -60.09 -40.38 89.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.255 0.55 . . . . 61.0 110.049 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -64.72 -35.39 80.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.765 -0.652 . . . . 61.0 110.214 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.546 ' HH ' ' HG ' ' A' ' 81' ' ' LEU . 17.0 m-85 -80.7 -29.48 36.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.977 -0.556 . . . . 61.0 111.651 -174.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HG2' ' HA ' ' A' ' 87' ' ' GLN . 17.1 ptm180 -75.39 -29.94 59.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.407 . . . . 61.0 110.413 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.633 ' OE1' ' HA ' ' A' ' 46' ' ' ILE . 49.7 tt0 -94.45 -2.09 52.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.258 0.552 . . . . 61.0 109.864 177.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.523 HD13 ' HD1' ' A' ' 89' ' ' TYR . 0.6 OUTLIER -64.81 118.81 9.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.869 -0.605 . . . . 61.0 111.591 -176.222 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -141.95 158.29 43.95 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.049 -1.093 . . . . 61.0 108.049 172.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -64.66 -44.56 90.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.366 -0.976 . . . . 61.0 108.366 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.415 ' HE1' ' NH2' ' A' ' 53' ' ' ARG . 36.6 t-80 . . . . . 0 C--O 1.244 0.792 0 CA-C-N 114.812 -1.085 . . . . 61.0 109.3 169.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.782 0.325 . . . . 61.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -175.76 -67.14 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.07 -1.085 . . . . 61.0 108.07 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp -92.88 178.8 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.042 -0.981 . . . . 61.0 108.513 169.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -85.17 -3.93 58.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.79 0.329 . . . . 61.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -135.15 144.53 47.1 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.662 -0.495 . . . . 61.0 109.662 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -88.15 96.02 5.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.988 0.423 . . . . 61.0 110.446 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -82.31 121.9 27.27 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.036 -0.727 . . . . 61.0 109.036 175.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.09 113.7 6.04 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.129 -0.558 . . . . 61.0 113.098 -176.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.76 122.54 9.71 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.662 2.241 . . . . 61.0 110.89 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -95.76 -11.77 26.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.238 -0.437 . . . . 61.0 110.696 -176.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.553 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.3 pt20 -151.3 141.2 21.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.427 -0.351 . . . . 61.0 110.309 176.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 m -131.98 155.98 42.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.414 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -96.6 136.57 36.94 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.15 0.5 . . . . 61.0 111.019 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.625 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -88.33 159.17 48.04 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 61.0 110.337 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HD3' ' HE2' ' A' ' 47' ' ' HIS . 11.1 Cg_exo -71.17 -15.1 31.97 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.474 2.116 . . . . 61.0 109.956 169.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.09 -15.66 60.6 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 114.669 -1.15 . . . . 61.0 109.807 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.4 2.96 63.36 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.931 -0.652 . . . . 61.0 111.738 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.497 ' HB ' HD21 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -89.04 169.84 11.16 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.46 0.304 . . . . 61.0 110.832 -178.337 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.0 t -116.17 125.57 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.774 -0.454 . . . . 61.0 109.774 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.599 ' HB2' HD23 ' A' ' 14' ' ' LEU . 53.1 tp -113.63 108.94 17.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.923 -0.58 . . . . 61.0 110.13 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 88.6 p -99.3 169.96 8.99 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.987 -0.375 . . . . 61.0 109.987 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.582 ' NH1' HG23 ' A' ' 50' ' ' ILE . 48.8 mtp85 -71.91 -6.61 43.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 61.0 110.72 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.4 -8.97 43.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 61.0 110.619 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' HB2' HD11 ' A' ' 20' ' ' LEU . 21.7 m-20 -90.45 -4.06 57.25 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.119 -0.492 . . . . 61.0 110.578 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD11 HG21 ' A' ' 50' ' ' ILE . 56.9 mt -67.71 134.81 92.4 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.864 -0.607 . . . . 61.0 110.47 177.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -61.97 149.67 89.37 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.087 2.525 . . . . 61.0 111.474 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.51 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 25.2 Cg_endo -61.5 151.67 78.34 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.741 2.294 . . . . 61.0 112.796 -178.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -70.48 -20.61 62.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 61.0 111.127 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.01 4.77 16.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 61.0 110.531 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.51 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 85.8 m -84.17 103.95 13.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.132 -0.486 . . . . 61.0 111.302 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -109.36 169.45 8.69 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.079 -0.712 . . . . 61.0 109.079 169.392 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 31' ' ' ARG . 46.1 ttt180 76.79 -53.67 0.57 Allowed 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.91 0.756 . . . . 61.0 109.544 -173.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 m95 70.83 159.56 0.2 Allowed 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.285 -0.87 . . . . 61.0 112.564 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.02 162.16 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.614 -1.176 . . . . 61.0 108.728 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -41.04 79.35 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.465 0.543 . . . . 61.0 112.465 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.9 p -58.55 -47.61 83.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.344 . . . . 61.0 111.729 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' O ' HG23 ' A' ' 41' ' ' VAL . 61.2 mtt180 -69.02 -39.39 79.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 61.0 110.878 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.43 -41.75 98.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.251 -0.432 . . . . 61.0 110.69 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.53 93.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 61.0 110.974 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.45 90.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.448 -0.342 . . . . 61.0 110.904 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 37' ' ' ARG . 86.8 t -63.5 -48.12 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 61.0 111.345 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.422 ' O ' HG13 ' A' ' 46' ' ' ILE . 14.9 p -65.73 -41.66 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.848 -0.341 . . . . 61.0 111.075 -177.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.625 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.3 mttt -66.39 -30.13 70.44 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 122.315 -0.241 . . . . 61.0 110.684 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.15 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 61.0 110.469 177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.497 HG21 HG13 ' A' ' 50' ' ' ILE . 56.5 t -65.57 -45.59 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 61.0 110.821 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 42' ' ' VAL . 96.8 mt -56.06 -40.97 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.957 -0.565 . . . . 61.0 111.953 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.456 ' HE2' ' HD3' ' A' ' 15' ' ' PRO . 71.1 m-70 -88.76 -5.12 58.3 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.733 -0.387 . . . . 61.0 111.818 -176.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.66 17.37 56.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.674 -0.774 . . . . 61.0 112.954 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.484 HD23 ' HG ' ' A' ' 20' ' ' LEU . 31.2 tp -69.52 -44.89 70.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.472 0.653 . . . . 61.0 109.427 177.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.582 HG23 ' NH1' ' A' ' 22' ' ' ARG . 36.0 pt -131.37 172.22 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.091 -0.959 . . . . 61.0 108.959 174.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.6 t -100.16 149.56 23.4 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.059 0.457 . . . . 61.0 110.262 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.645 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 19.9 tt0 -57.24 -40.03 76.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.567 -0.742 . . . . 61.0 110.47 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.603 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 1.2 tmt_? -66.92 -30.56 70.73 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.701 -0.481 . . . . 61.0 109.701 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 31.6 tt0 -66.66 -46.57 75.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.579 -0.526 . . . . 61.0 109.579 178.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.4 86.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.115 -0.493 . . . . 61.0 110.769 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 49.7 mt -68.85 -31.93 71.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.682 -0.69 . . . . 61.0 110.776 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.417 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . 16.7 t70 -78.93 -55.34 5.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.981 -0.554 . . . . 61.0 111.232 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.1 ptm180 -67.87 -36.92 81.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.698 -0.683 . . . . 61.0 111.776 -171.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -97.55 -1.11 44.67 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.966 -0.294 . . . . 61.0 111.393 -177.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 t 57.4 74.29 0.42 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.528 0.68 . . . . 61.0 109.844 -176.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 82.5 mt -127.14 -161.89 1.11 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.536 -0.756 . . . . 61.0 110.067 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 m -148.59 157.23 43.32 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.222 -0.659 . . . . 61.0 109.222 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.88 -40.62 84.95 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 123.194 0.309 . . . . 61.0 110.94 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.92 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 61.0 110.979 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -67.92 -50.0 58.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.771 -0.65 . . . . 61.0 109.81 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -62.31 -33.97 75.7 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.091 -0.504 . . . . 61.0 110.576 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.29 82.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 61.0 110.329 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.64 -42.24 87.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.992 -0.549 . . . . 61.0 110.298 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -55.82 -51.64 66.78 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.009 -0.542 . . . . 61.0 111.224 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -71.79 -22.34 61.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.866 0.321 . . . . 61.0 111.866 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.476 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 69.8 m -80.18 -23.52 40.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.036 0.446 . . . . 61.0 110.587 175.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.32 -23.31 22.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.138 -0.483 . . . . 61.0 111.241 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t -108.12 -68.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 121.063 -0.255 . . . . 61.0 111.648 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.08 92.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.912 0.387 . . . . 61.0 111.481 -175.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 71' ' ' SER . . . -74.64 -12.09 60.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.152 0.501 . . . . 61.0 110.619 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.47 ' C ' ' H ' ' A' ' 78' ' ' GLU . 29.9 t60 -88.93 4.66 47.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.471 0.653 . . . . 61.0 109.595 175.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.414 ' O ' HD11 ' A' ' 81' ' ' LEU . . . -78.94 14.68 12.77 Favored Glycine 0 N--CA 1.452 -0.288 0 N-CA-C 110.888 -0.885 . . . . 61.0 110.888 171.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 76' ' ' HIS . 7.7 pt-20 -49.58 -26.7 3.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.949 1.299 . . . . 61.0 112.561 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -98.27 8.69 44.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.202 -0.454 . . . . 61.0 111.958 -175.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -148.29 47.42 1.05 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.083 0.401 . . . . 61.0 112.083 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.414 HD11 ' O ' ' A' ' 77' ' ' GLY . 7.1 mp -80.0 76.17 6.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.222 0.534 . . . . 61.0 110.875 174.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.556 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 88.3 tttt -97.22 150.85 20.45 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.994 -0.743 . . . . 61.0 108.994 176.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.508 ' HA ' HD11 ' A' ' 86' ' ' ILE . 8.5 p -48.67 -37.43 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.162 0.506 . . . . 61.0 111.317 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.8 m -61.66 -52.47 64.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.132 -0.94 . . . . 61.0 111.121 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.556 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 1.3 mpt? -63.37 -32.65 74.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.455 -0.793 . . . . 61.0 111.251 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.508 HD11 ' HA ' ' A' ' 83' ' ' VAL . 7.1 mt -68.87 -30.81 48.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.243 -0.435 . . . . 61.0 111.309 -178.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -65.37 -31.22 72.23 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.897 -0.779 . . . . 61.0 108.897 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.561 ' HA ' ' HG2' ' A' ' 91' ' ' GLN . 67.3 mmtt -74.65 -22.62 58.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.58 -0.737 . . . . 61.0 109.918 177.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.49 ' CD2' ' HA ' ' A' ' 86' ' ' ILE . 22.4 m-85 -80.58 -25.02 38.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.976 0.417 . . . . 61.0 110.035 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -79.89 -24.17 41.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.206 -0.452 . . . . 61.0 110.976 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.561 ' HG2' ' HA ' ' A' ' 88' ' ' LYS . 3.8 pt20 -88.64 -5.61 58.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.547 0.689 . . . . 61.0 109.163 173.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 92' ' ' LEU . 7.1 tt -91.17 122.49 33.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.806 -1.088 . . . . 61.0 109.456 177.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.19 -72.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.311 0.382 . . . . 61.0 110.246 176.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -171.32 97.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.866 -0.606 . . . . 61.0 109.886 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 . . . . . 0 C--N 1.317 -0.846 0 CA-C-O 118.582 -0.723 . . . . 61.0 109.261 177.834 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.122 -0.325 . . . . 61.0 110.122 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 52.3 t80 73.61 -75.21 0.08 Allowed 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.858 0.724 . . . . 61.0 110.196 -178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.4 mt 60.89 -88.47 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.731 0.644 . . . . 61.0 111.247 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -80.16 -62.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.365 -0.605 . . . . 61.0 109.365 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 176.87 135.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.941 -1.027 . . . . 61.0 108.938 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.5 t -80.88 132.04 32.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.053 -0.721 . . . . 61.0 109.053 175.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.51 75.86 2.55 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.723 -0.473 . . . . 61.0 109.723 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.41 -157.42 24.45 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.618 -0.719 . . . . 61.0 112.26 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -81.52 126.32 5.34 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.67 2.247 . . . . 61.0 111.109 171.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -78.08 -31.2 50.02 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.801 -0.444 . . . . 61.0 109.801 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.561 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.4 pt20 -155.92 141.71 17.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 61.0 110.26 -177.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.95 156.07 31.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.229 -0.441 . . . . 61.0 110.551 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.1 m -93.8 135.33 35.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.232 -0.44 . . . . 61.0 110.916 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.654 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -89.63 156.85 47.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.187 -0.46 . . . . 61.0 110.235 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.51 -14.38 39.62 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.525 2.15 . . . . 61.0 110.089 171.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.66 -14.85 60.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.599 -1.182 . . . . 61.0 109.794 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.49 3.98 64.4 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.882 -0.599 . . . . 61.0 111.634 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.437 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.3 m -89.26 169.28 11.58 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.485 -0.358 . . . . 61.0 111.124 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.72 126.5 72.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.853 -0.425 . . . . 61.0 109.853 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.606 ' HB2' HD22 ' A' ' 14' ' ' LEU . 38.7 tp -115.41 104.98 12.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.145 -0.48 . . . . 61.0 110.055 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.5 p -94.21 169.94 9.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.256 -0.429 . . . . 61.0 110.495 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -66.46 -13.06 60.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.129 -0.487 . . . . 61.0 111.078 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.5 -7.78 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 61.0 110.546 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.455 ' HB2' HD11 ' A' ' 20' ' ' LEU . 24.3 m-20 -86.13 -13.62 46.58 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.931 -0.396 . . . . 61.0 109.931 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt -56.65 129.67 76.74 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.725 -0.67 . . . . 61.0 109.829 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.24 148.74 68.58 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 123.105 2.537 . . . . 61.0 112.214 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.18 155.14 71.92 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.795 2.33 . . . . 61.0 112.449 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -68.6 -17.18 64.07 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.934 -0.575 . . . . 61.0 110.818 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.73 -23.29 65.24 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.568 -0.742 . . . . 61.0 110.532 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.8 m -66.56 113.71 4.96 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.508 0.671 . . . . 61.0 110.559 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.53 -41.52 2.82 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.303 -0.862 . . . . 61.0 108.976 178.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -77.0 82.16 3.53 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.142 -1.058 . . . . 61.0 108.142 168.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -66.42 119.02 10.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.09 -0.959 . . . . 61.0 111.75 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.45 162.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 61.0 109.444 173.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.84 -42.15 71.6 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.303 0.377 . . . . 61.0 111.678 -176.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.6 m -60.09 -40.77 90.74 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.835 0.309 . . . . 61.0 111.835 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -79.07 -32.96 44.96 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.602 -0.272 . . . . 61.0 110.731 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.45 -43.2 91.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.03 0.443 . . . . 61.0 110.417 173.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.467 ' HA ' HG13 ' A' ' 42' ' ' VAL . . . -61.46 -39.35 90.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.693 -0.685 . . . . 61.0 111.222 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.4 95.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.821 0.343 . . . . 61.0 110.796 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.0 t -66.67 -48.43 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.274 -0.421 . . . . 61.0 111.355 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.519 HG23 ' HA ' ' A' ' 70' ' ' ARG . 13.7 p -66.26 -40.21 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.621 -0.263 . . . . 61.0 111.395 -177.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.654 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.1 mttt -65.54 -35.35 80.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.707 0.289 . . . . 61.0 110.461 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.51 ' HB1' HD23 ' A' ' 20' ' ' LEU . . . -59.73 -45.92 90.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.119 0.485 . . . . 61.0 110.368 177.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.562 HG13 ' HG3' ' A' ' 52' ' ' GLU . 82.0 t -66.99 -45.04 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.637 -0.711 . . . . 61.0 111.506 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.49 -37.64 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.181 -0.463 . . . . 61.0 111.359 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -81.93 -18.13 44.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.801 -0.359 . . . . 61.0 111.355 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.13 2.51 45.09 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.381 -0.914 . . . . 61.0 113.225 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.481 HD23 ' HG ' ' A' ' 20' ' ' LEU . 37.7 tp -55.33 -52.41 63.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.348 0.594 . . . . 61.0 109.6 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 pt -129.07 -175.92 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.724 -0.843 . . . . 61.0 108.724 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -123.23 167.04 14.25 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.884 -0.326 . . . . 61.0 110.276 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.562 ' HG3' HG13 ' A' ' 45' ' ' VAL . 6.4 mt-10 -55.54 -48.05 75.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.47 . . . . 61.0 111.621 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -29.56 70.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.828 -0.624 . . . . 61.0 111.02 -177.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 13.1 tp10 -71.59 -46.88 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.742 -0.663 . . . . 61.0 110.219 178.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.4 65.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.916 -0.584 . . . . 61.0 111.105 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 68.1 mt -61.07 -36.41 79.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.594 . . . . 61.0 110.89 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.67 -55.8 9.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.254 -0.43 . . . . 61.0 111.385 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.1 ptp180 -65.88 -37.94 87.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 61.0 111.783 -174.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -92.89 0.08 57.34 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.991 0.367 . . . . 61.0 111.991 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.3 m 58.91 39.23 24.01 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.24 0.543 . . . . 61.0 110.691 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 90.0 mt -93.49 167.86 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.713 -0.676 . . . . 61.0 110.635 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.459 ' HB3' ' OE1' ' A' ' 64' ' ' GLU . 19.0 m -106.25 153.3 22.35 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.418 -0.586 . . . . 61.0 109.418 175.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -63.56 -35.54 80.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.943 0.401 . . . . 61.0 110.799 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.459 ' OE1' ' HB3' ' A' ' 62' ' ' SER . 1.7 pm0 -71.19 -24.31 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 61.0 110.94 177.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 62' ' ' SER . 36.0 tp10 -70.36 -50.39 39.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.223 -0.658 . . . . 61.0 109.223 177.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.402 ' CZ ' ' HA ' ' A' ' 42' ' ' VAL . 50.9 t80 -62.86 -29.71 70.95 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.833 -0.622 . . . . 61.0 110.354 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.25 87.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.514 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.17 -42.98 83.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.277 -0.42 . . . . 61.0 110.104 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -54.26 -55.04 32.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.965 -0.561 . . . . 61.0 111.133 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.519 ' HA ' HG23 ' A' ' 42' ' ' VAL . 7.4 ptm180 -69.89 -29.05 66.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 61.0 111.168 -175.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.492 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 6.6 t -75.69 -28.79 58.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.071 0.462 . . . . 61.0 110.317 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -86.2 -39.2 16.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.474 -0.33 . . . . 61.0 111.492 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.8 t -84.77 -66.26 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.636 0.255 . . . . 61.0 111.401 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.69 -40.12 63.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.924 0.392 . . . . 61.0 111.315 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 71' ' ' SER . . . -88.96 13.63 12.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.25 -0.432 . . . . 61.0 111.547 -175.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 48.2 t-80 -63.29 -34.76 78.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.429 0.633 . . . . 61.0 109.345 173.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.33 77.71 0.25 Allowed Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.233 -0.894 . . . . 61.0 110.987 174.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -103.66 0.55 30.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.924 0.393 . . . . 61.0 110.968 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.592 ' HB3' ' HZ1' ' A' ' 79' ' ' LYS . 2.7 mmmp? -92.38 -21.02 20.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.245 -0.434 . . . . 61.0 110.872 -176.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.438 ' O ' ' HG2' ' A' ' 85' ' ' MET . . . -98.56 89.76 4.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.122 -0.49 . . . . 61.0 110.315 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.57 77.08 7.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.349 0.595 . . . . 61.0 110.473 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.43 ' O ' HD12 ' A' ' 86' ' ' ILE . 15.0 tptm -96.84 166.7 11.5 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.595 -0.891 . . . . 61.0 108.595 175.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.3 p -53.91 -31.78 21.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 112.796 0.665 . . . . 61.0 112.796 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 m -77.84 -18.42 56.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.217 0.532 . . . . 61.0 111.075 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.677 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 1.2 mpt? -88.99 -16.87 30.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.547 0.573 . . . . 61.0 112.547 -170.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.43 HD12 ' O ' ' A' ' 82' ' ' LYS . 4.2 mp -60.63 -30.33 46.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.927 0.394 . . . . 61.0 110.832 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -60.49 -37.97 82.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.2 -0.455 . . . . 61.0 111.243 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.677 ' HG2' ' O ' ' A' ' 85' ' ' MET . 18.1 ptpt -72.98 -27.62 61.91 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.907 0.384 . . . . 61.0 110.589 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -78.93 -31.27 45.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.985 0.421 . . . . 61.0 109.899 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -79.29 -25.17 42.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.088 -0.505 . . . . 61.0 111.06 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -83.63 -11.83 56.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.25 0.548 . . . . 61.0 109.739 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.6 tt -79.05 -26.14 43.12 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.553 -0.906 . . . . 61.0 108.553 174.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -78.37 72.35 4.89 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.885 -1.052 . . . . 61.0 109.641 175.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -94.15 -2.39 52.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.644 0.735 . . . . 61.0 109.415 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 . . . . . 0 C--O 1.243 0.746 0 CA-C-N 114.819 -1.082 . . . . 61.0 108.895 173.225 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 120.591 0.234 . . . . 61.0 110.827 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -83.49 84.63 7.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.939 0.399 . . . . 61.0 110.845 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tt -179.87 -74.73 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.304 -0.998 . . . . 61.0 108.304 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -170.1 123.89 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.525 -0.762 . . . . 61.0 109.597 177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -97.7 165.36 12.0 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.281 -1.007 . . . . 61.0 108.281 173.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.17 88.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.384 0.611 . . . . 61.0 110.31 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.457 ' OD2' ' HD3' ' A' ' 10' ' ' ARG . 17.2 t70 -124.93 112.78 17.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.646 -0.706 . . . . 61.0 109.939 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.71 -107.96 0.27 Allowed Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.298 -1.121 . . . . 61.0 110.298 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.9 88.08 1.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 121.975 1.784 . . . . 61.0 111.168 173.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' HD3' ' OD2' ' A' ' 7' ' ' ASP . 20.3 mtm180 -83.85 -19.2 35.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.375 -0.375 . . . . 61.0 110.274 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.571 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.8 pt20 -154.26 140.46 18.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.946 -0.57 . . . . 61.0 110.717 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.5 m -123.44 159.54 27.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.993 -0.548 . . . . 61.0 110.823 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.2 m -100.65 129.14 46.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.92 -0.582 . . . . 61.0 110.685 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.615 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -83.9 153.89 64.07 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.708 -0.479 . . . . 61.0 109.708 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.45 -14.88 43.96 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.03 1.82 . . . . 61.0 110.048 173.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.72 -16.14 61.2 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.271 -1.331 . . . . 61.0 110.34 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.75 3.37 66.32 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.013 -0.613 . . . . 61.0 111.609 -176.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -86.81 166.44 15.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.312 -0.444 . . . . 61.0 110.641 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.3 t -113.48 129.48 69.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.918 -0.401 . . . . 61.0 109.918 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.59 ' HB2' HD23 ' A' ' 14' ' ' LEU . 50.8 tp -122.49 106.81 11.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.154 -0.475 . . . . 61.0 110.127 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.571 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 86.1 p -101.12 173.8 6.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.443 -0.344 . . . . 61.0 110.145 178.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -71.47 -9.6 58.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.838 0.352 . . . . 61.0 110.818 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.17 -6.99 37.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.099 -0.501 . . . . 61.0 110.608 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.447 ' HB2' HD11 ' A' ' 20' ' ' LEU . 13.4 m-20 -90.68 -18.49 24.97 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.106 -0.497 . . . . 61.0 110.904 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 50' ' ' ILE . 67.6 mt -52.93 139.75 42.27 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-N 116.125 -0.488 . . . . 61.0 111.073 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.31 137.99 78.56 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.792 2.328 . . . . 61.0 111.114 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.89 150.41 78.05 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.644 2.229 . . . . 61.0 112.745 -175.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.4 mt -65.95 -16.41 63.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.526 0.679 . . . . 61.0 109.872 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.43 -28.26 69.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.214 -0.903 . . . . 61.0 111.041 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.469 HG23 HH11 ' A' ' 37' ' ' ARG . 54.4 m -64.54 119.37 10.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.361 0.6 . . . . 61.0 112.103 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -115.21 -36.04 4.49 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.321 -0.854 . . . . 61.0 108.754 172.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -71.98 82.43 0.94 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.629 -0.714 . . . . 61.0 109.558 172.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -73.94 93.22 2.18 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.629 -0.714 . . . . 61.0 111.977 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.5 m -82.65 170.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.656 -0.702 . . . . 61.0 110.088 175.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.86 -53.42 56.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.636 0.606 . . . . 61.0 112.636 -173.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.8 m -64.11 -32.56 74.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.188 0.44 . . . . 61.0 112.188 -174.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.469 HH11 HG23 ' A' ' 30' ' ' THR . 98.3 mtt180 -70.71 -39.82 73.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.849 0.357 . . . . 61.0 110.325 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.11 -42.02 99.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.95 -0.568 . . . . 61.0 110.253 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.459 ' HA ' HG11 ' A' ' 42' ' ' VAL . . . -61.54 -39.02 89.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.523 -0.762 . . . . 61.0 111.305 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.39 98.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.83 0.348 . . . . 61.0 110.763 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.76 -47.64 87.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.216 -0.447 . . . . 61.0 111.238 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.459 HG11 ' HA ' ' A' ' 39' ' ' ALA . 13.5 p -68.22 -38.75 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.43 -0.35 . . . . 61.0 111.126 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.615 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.2 mttt -63.46 -30.96 72.0 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.768 0.318 . . . . 61.0 110.372 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB1' HD23 ' A' ' 20' ' ' LEU . . . -64.04 -44.69 91.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.028 -0.533 . . . . 61.0 110.911 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.517 HG22 HG13 ' A' ' 50' ' ' ILE . 62.6 t -72.96 -38.14 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.02 0.438 . . . . 61.0 110.95 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.0 -39.0 80.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.984 -0.553 . . . . 61.0 111.427 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -85.9 -18.65 32.13 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.829 -0.348 . . . . 61.0 111.485 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 25.68 13.42 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.192 -1.004 . . . . 61.0 112.603 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.486 HD21 ' HG ' ' A' ' 20' ' ' LEU . 40.1 tp -73.98 -50.45 19.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.065 0.936 . . . . 61.0 108.892 175.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.517 HG13 HG22 ' A' ' 45' ' ' VAL . 37.5 pt -124.88 163.82 24.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.395 -1.275 . . . . 61.0 108.386 173.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.472 HG21 ' HB2' ' A' ' 54' ' ' GLU . 10.8 t -92.05 159.85 15.51 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 120.108 -0.637 . . . . 61.0 109.686 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.493 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 31.4 tt0 -57.11 -45.59 83.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.893 -0.594 . . . . 61.0 111.062 -172.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -71.03 -26.62 63.18 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 111.846 0.313 . . . . 61.0 111.846 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 28.0 tt0 -62.58 -36.79 83.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.434 -0.58 . . . . 61.0 109.434 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.13 -46.66 76.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.753 -0.658 . . . . 61.0 110.484 174.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.569 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 61.1 mt -61.82 -53.98 48.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.804 -0.635 . . . . 61.0 111.149 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -63.61 -31.25 72.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.782 -0.645 . . . . 61.0 112.402 -172.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.4 ptp180 -86.21 -23.02 26.62 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.3 -0.56 . . . . 61.0 111.967 -178.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.433 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 56.1 m-85 -110.2 4.23 20.8 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.827 -0.349 . . . . 61.0 111.432 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.7 m 63.06 25.59 15.04 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.222 0.534 . . . . 61.0 110.728 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 88.3 mt -81.45 154.48 26.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.761 -0.654 . . . . 61.0 110.868 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 14.8 m -92.61 154.26 18.5 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.914 -0.585 . . . . 61.0 109.513 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.27 -42.12 81.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.156 -0.475 . . . . 61.0 110.902 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.7 pt-20 -68.13 -30.46 69.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.704 -0.68 . . . . 61.0 110.952 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' HB3' ' O ' ' A' ' 62' ' ' SER . 7.4 tp10 -60.73 -58.9 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.226 0.536 . . . . 61.0 109.588 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.582 ' HE2' HH11 ' A' ' 70' ' ' ARG . 55.6 t80 -63.64 -31.44 72.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.719 -0.673 . . . . 61.0 110.782 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.25 -44.03 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 61.0 110.154 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 87.6 mt -66.74 -40.07 88.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 61.0 110.481 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -53.52 -51.51 62.61 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.304 -0.407 . . . . 61.0 111.039 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.582 HH11 ' HE2' ' A' ' 66' ' ' PHE . 12.1 ptm180 -77.66 -21.63 51.86 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.117 -0.233 . . . . 61.0 111.611 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.7 m -77.2 -15.81 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.283 0.563 . . . . 61.0 110.068 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.44 -63.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.59 -0.732 . . . . 61.0 110.818 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.74 -50.22 67.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.342 -0.39 . . . . 61.0 111.962 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 70' ' ' ARG . . . -78.97 10.0 3.81 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.002 0.429 . . . . 61.0 111.058 -176.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.13 12.59 4.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.101 -0.499 . . . . 61.0 109.782 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -101.87 112.22 24.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.872 -0.604 . . . . 61.0 110.722 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.403 ' O ' HD12 ' A' ' 81' ' ' LEU . . . -169.5 87.22 0.09 OUTLIER Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.351 -0.84 . . . . 61.0 111.513 178.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.47 -18.86 16.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.096 0.474 . . . . 61.0 109.976 178.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -77.36 -59.58 2.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.743 -0.662 . . . . 61.0 111.339 -176.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -155.34 134.81 12.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 61.0 111.358 -177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 77' ' ' GLY . 7.7 mp -112.89 86.46 2.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.905 -0.589 . . . . 61.0 109.438 176.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.424 ' O ' HD11 ' A' ' 86' ' ' ILE . 51.5 tptt -65.63 154.02 39.99 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.478 -0.564 . . . . 61.0 109.478 178.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 p -58.0 -21.71 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.465 0.65 . . . . 61.0 110.846 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.1 m -85.65 -8.79 58.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.693 -0.685 . . . . 61.0 111.033 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 38.4 tpp -92.22 -27.48 17.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.392 -0.367 . . . . 61.0 111.888 -171.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.424 HD11 ' O ' ' A' ' 82' ' ' LYS . 5.0 mp -58.18 -37.67 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.606 0.241 . . . . 61.0 110.91 -177.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.419 ' O ' ' HG2' ' A' ' 91' ' ' GLN . 29.4 tt0 -49.26 -44.13 43.5 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.123 -0.49 . . . . 61.0 111.417 175.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 88' ' ' LYS . 12.7 mptt -69.27 -30.37 68.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 61.0 110.64 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.626 ' O ' HD23 ' A' ' 92' ' ' LEU . 27.7 m-85 -80.44 -18.49 48.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.025 -0.534 . . . . 61.0 110.686 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -89.76 -30.44 18.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.657 -0.247 . . . . 61.0 111.651 -176.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 87' ' ' GLN . 4.3 pt20 -86.54 17.91 3.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.75 0.31 . . . . 61.0 111.827 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 89' ' ' TYR . 1.5 pt? -75.73 -15.55 60.27 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.188 -0.32 . . . . 61.0 111.391 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 35.39 87.07 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.952 0.901 . . . . 61.0 112.521 -168.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.476 ' HB3' ' HG ' ' A' ' 92' ' ' LEU . 19.9 t-80 -160.75 -31.11 0.06 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.556 -1.202 . . . . 61.0 109.923 -176.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 . . . . . 0 C--O 1.247 0.935 0 N-CA-C 108.719 -0.845 . . . . 61.0 108.719 -172.183 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.791 -0.448 . . . . 61.0 109.791 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -91.38 101.71 14.39 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.901 0.334 . . . . 61.0 111.901 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.7 mt 56.55 -92.01 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.198 0.936 . . . . 61.0 112.395 172.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -138.4 -57.33 0.64 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.587 -0.523 . . . . 61.0 109.587 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -103.51 120.6 41.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.536 -0.756 . . . . 61.0 110.063 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -78.36 115.54 20.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.176 -0.465 . . . . 61.0 109.875 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -76.63 -23.4 53.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.34 -0.391 . . . . 61.0 111.2 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.18 166.3 32.05 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.604 -0.808 . . . . 61.0 112.226 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.01 174.46 12.78 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.093 2.529 . . . . 61.0 111.548 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -88.37 -20.06 25.8 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.878 -0.329 . . . . 61.0 110.716 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 6.7 pt20 -149.86 144.95 26.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.997 0.427 . . . . 61.0 111.005 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 m -128.65 157.17 41.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.728 -0.669 . . . . 61.0 110.403 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -90.12 136.76 32.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.825 0.345 . . . . 61.0 111.063 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.741 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.0 mm? -90.97 158.55 41.61 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.46 -0.337 . . . . 61.0 110.095 176.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HD3' ' HE2' ' A' ' 47' ' ' HIS . 65.9 Cg_endo -74.39 -4.26 15.14 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.383 2.056 . . . . 61.0 111.516 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -102.7 4.03 37.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.173 -0.921 . . . . 61.0 110.364 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.5 -9.76 69.12 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 121.028 -0.606 . . . . 61.0 113.762 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 19' ' ' VAL . 11.2 m -79.65 167.93 20.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.668 0.271 . . . . 61.0 111.095 -178.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.451 ' N ' HG23 ' A' ' 18' ' ' THR . 78.8 t -111.53 132.63 59.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.918 -0.401 . . . . 61.0 109.918 173.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.587 ' HB2' HD23 ' A' ' 14' ' ' LEU . 48.9 tp -113.46 106.67 14.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.264 -0.425 . . . . 61.0 110.123 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 71.3 p -94.78 163.96 13.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.05 -0.523 . . . . 61.0 110.365 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HG3' HD11 ' A' ' 49' ' ' LEU . 65.6 mtt180 -70.4 -11.52 60.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.56 -0.291 . . . . 61.0 111.425 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.73 -7.37 43.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.968 0.413 . . . . 61.0 110.386 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.416 ' HB3' HD13 ' A' ' 20' ' ' LEU . 34.9 t70 -91.97 -12.09 34.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.024 -0.535 . . . . 61.0 110.293 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.1 139.53 91.08 Favored Pre-proline 0 C--O 1.233 0.212 0 CA-C-N 115.818 -0.628 . . . . 61.0 110.546 174.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.44 138.51 76.75 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.878 2.385 . . . . 61.0 112.274 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -66.05 165.73 23.11 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.495 2.796 . . . . 61.0 113.038 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.1 mt -79.55 -4.57 52.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.688 -0.687 . . . . 61.0 111.773 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -24.34 61.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.406 0.622 . . . . 61.0 109.503 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.488 HG23 ' CD ' ' A' ' 37' ' ' ARG . 69.6 m -79.48 116.13 19.52 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.732 -1.122 . . . . 61.0 112.1 -172.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -116.35 -28.46 6.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.577 -0.738 . . . . 61.0 109.972 172.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -75.24 78.06 2.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.52 0.676 . . . . 61.0 109.326 171.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.472 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 97.5 m95 -71.14 113.15 7.88 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.208 -0.906 . . . . 61.0 111.51 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 33.4 m -103.91 166.14 3.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.428 -0.806 . . . . 61.0 109.595 175.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.42 -41.36 65.95 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.476 0.547 . . . . 61.0 112.476 -173.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.0 m -56.73 -49.64 74.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.218 0.532 . . . . 61.0 111.191 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.488 ' CD ' HG23 ' A' ' 30' ' ' THR . 90.5 mtt-85 -73.8 -35.62 64.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 61.0 110.816 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HE3' ' O ' ' A' ' 33' ' ' TRP . 98.9 mttt -62.69 -43.26 99.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 61.0 110.465 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.42 88.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 61.0 111.243 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.36 90.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.379 -0.373 . . . . 61.0 111.218 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.5 t -67.34 -51.9 47.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.449 -0.341 . . . . 61.0 111.354 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.481 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.3 p -66.49 -40.14 85.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.36 . . . . 61.0 111.379 -175.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.741 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.3 mttt -66.42 -28.05 68.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.565 0.222 . . . . 61.0 110.691 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.1 82.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.894 0.378 . . . . 61.0 110.591 177.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.89 -42.17 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.141 0.496 . . . . 61.0 110.765 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.67 -27.15 42.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.723 -0.672 . . . . 61.0 111.84 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.514 ' HE2' ' HD3' ' A' ' 15' ' ' PRO . 84.3 m-70 -102.27 0.28 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.245 0.461 . . . . 61.0 112.245 -178.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.45 21.06 65.23 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.309 -0.948 . . . . 61.0 112.653 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.481 HD11 ' HG3' ' A' ' 22' ' ' ARG . 39.2 tp -74.74 -47.06 33.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.023 -0.732 . . . . 61.0 109.023 176.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.1 pt -132.12 168.93 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.071 -0.968 . . . . 61.0 108.669 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 54' ' ' GLU . 2.4 t -95.67 156.88 16.14 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.056 0.455 . . . . 61.0 110.586 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 21.9 tt0 -60.9 -39.24 88.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.822 -0.626 . . . . 61.0 110.358 -177.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -58.54 -42.57 88.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.698 -0.683 . . . . 61.0 110.504 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 32.1 tp10 -57.19 -47.83 80.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.462 -0.79 . . . . 61.0 109.907 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.16 87.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.251 -0.431 . . . . 61.0 111.148 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.556 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 34.4 mt -65.16 -34.07 77.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.231 -0.44 . . . . 61.0 111.015 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -75.79 -59.6 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.6 -0.273 . . . . 61.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.5 ptm180 -64.06 -34.41 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.125 0.417 . . . . 61.0 112.125 -171.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.419 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 38.6 m-85 -102.07 2.12 37.19 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.785 -0.366 . . . . 61.0 111.297 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.1 m 55.3 61.72 2.78 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.345 0.593 . . . . 61.0 110.46 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 48.4 mt -112.04 148.02 34.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.452 -0.794 . . . . 61.0 110.255 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.3 m -99.07 169.64 9.27 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.053 -0.521 . . . . 61.0 110.102 175.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -58.0 -44.48 87.23 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.465 -0.334 . . . . 61.0 111.366 -175.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.532 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 2.0 pm0 -66.7 -32.73 74.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.612 -0.267 . . . . 61.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.507 ' HG2' HD21 ' A' ' 61' ' ' LEU . 6.9 tp10 -59.34 -60.6 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.032 0.444 . . . . 61.0 109.849 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -61.88 -32.04 72.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.754 -0.657 . . . . 61.0 110.332 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.79 99.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 61.0 110.674 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 82.7 mt -64.88 -46.35 82.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.475 -0.33 . . . . 61.0 110.472 177.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.6 m0 -56.41 -49.98 72.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 61.0 110.861 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.481 ' HA ' HG21 ' A' ' 42' ' ' VAL . 11.1 ptm180 -70.28 -22.87 62.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 61.0 111.108 -177.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.503 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 56.8 m -84.06 -29.22 27.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.804 0.335 . . . . 61.0 110.955 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -81.58 -32.23 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.852 0.358 . . . . 61.0 111.386 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -100.14 -63.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.401 -0.363 . . . . 61.0 111.505 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.13 -38.82 63.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.488 -0.323 . . . . 61.0 111.828 -172.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' ' 71' ' ' SER . . . -90.18 8.59 32.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.988 0.423 . . . . 61.0 111.235 -177.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 13.2 t-160 -73.98 109.23 7.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.905 -0.589 . . . . 61.0 109.908 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.68 76.78 0.17 Allowed Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.081 -0.808 . . . . 61.0 111.081 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -78.52 -7.73 57.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.876 0.37 . . . . 61.0 110.732 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -68.19 -73.68 0.14 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 61.0 109.976 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.42 ' C ' HD13 ' A' ' 81' ' ' LEU . . . -175.58 80.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.207 -0.906 . . . . 61.0 109.199 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.479 ' HB3' HG13 ' A' ' 86' ' ' ILE . 8.6 mp -126.75 103.8 7.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.831 -0.622 . . . . 61.0 110.439 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.518 ' O ' HD11 ' A' ' 86' ' ' ILE . 56.7 tttp -76.12 157.7 32.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.579 -0.897 . . . . 61.0 108.579 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.7 p -44.88 -42.18 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.384 0.513 . . . . 61.0 112.384 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.516 HG22 ' HE2' ' A' ' 88' ' ' LYS . 8.7 m -65.41 -42.03 92.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.206 0.527 . . . . 61.0 111.295 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.5 mtt -59.65 -43.57 93.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.452 -0.795 . . . . 61.0 110.569 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.518 HD11 ' O ' ' A' ' 82' ' ' LYS . 3.0 mt -59.86 -44.34 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 61.0 110.924 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -59.77 -34.06 72.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 61.0 110.603 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.516 ' HE2' HG22 ' A' ' 84' ' ' THR . 67.7 mttm -77.62 -9.19 58.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.419 -0.355 . . . . 61.0 111.874 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -106.42 -12.73 15.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.934 0.397 . . . . 61.0 110.826 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 86' ' ' ILE . 28.4 mmt180 -109.41 -40.42 4.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.943 0.402 . . . . 61.0 110.803 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -102.67 27.07 7.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.348 -0.612 . . . . 61.0 109.348 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 93' ' ' HIS . 2.5 pt? -52.19 -50.24 62.27 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.21 -0.905 . . . . 61.0 111.953 -175.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.471 ' N ' ' HG ' ' A' ' 92' ' ' LEU . 20.3 t-80 45.19 70.83 0.31 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.623 0.577 . . . . 61.0 110.528 -176.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -112.81 131.61 55.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.914 -0.585 . . . . 61.0 110.949 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.1 t60 . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.691 -0.671 . . . . 61.0 109.211 175.938 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.018 -0.364 . . . . 61.0 110.018 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -93.82 95.72 9.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.43 0.633 . . . . 61.0 109.949 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.448 ' HG ' ' H ' ' A' ' 5' ' ' ARG . 33.2 tp -141.56 151.27 43.06 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.545 -1.207 . . . . 61.0 108.557 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.99 -24.38 62.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.759 0.314 . . . . 61.0 110.544 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.448 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 15.5 ttm180 -100.3 92.79 5.35 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.348 -0.982 . . . . 61.0 108.348 168.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.622 HG23 ' H ' ' A' ' 8' ' ' GLY . 10.7 p -75.21 143.14 13.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.552 -0.749 . . . . 61.0 112.03 -167.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -95.93 -16.41 21.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 61.0 110.109 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.622 ' H ' HG23 ' A' ' 6' ' ' VAL . . . 162.62 144.74 4.11 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.48 -0.782 . . . . 61.0 111.501 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.29 146.55 96.27 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.736 2.29 . . . . 61.0 111.558 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -72.72 -27.4 62.03 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.619 -0.433 . . . . 61.0 110.852 -177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.556 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.5 pt20 -153.98 144.07 22.02 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.368 0.604 . . . . 61.0 112.008 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 m -117.47 157.68 18.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.408 -0.815 . . . . 61.0 109.993 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.7 m -99.34 140.44 33.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.023 0.439 . . . . 61.0 110.53 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.561 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -93.39 148.33 35.36 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.624 -0.51 . . . . 61.0 109.624 177.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.17 -17.51 59.98 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.452 2.102 . . . . 61.0 110.587 174.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.1 -11.37 59.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.887 -1.051 . . . . 61.0 110.554 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.13 -1.42 67.5 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 116.002 -0.544 . . . . 61.0 111.872 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.0 m -80.76 163.13 23.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.617 -0.291 . . . . 61.0 110.228 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -119.48 123.35 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.965 -0.383 . . . . 61.0 109.965 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.561 ' HB2' HD23 ' A' ' 14' ' ' LEU . 60.4 tp -113.17 109.64 19.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.207 -0.451 . . . . 61.0 110.08 -178.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.556 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 36.2 p -108.51 165.62 11.39 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.341 -0.39 . . . . 61.0 110.996 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -62.79 -19.86 64.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.58 . . . . 61.0 111.224 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.7 -2.7 31.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 61.0 110.897 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -97.05 -15.63 20.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 61.0 110.123 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 mt -50.76 140.39 19.81 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 115.951 -0.568 . . . . 61.0 110.706 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.36 147.41 77.57 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.939 2.426 . . . . 61.0 112.192 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.36 153.17 79.47 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.478 2.119 . . . . 61.0 112.606 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 mt -69.79 -16.51 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.639 -0.709 . . . . 61.0 110.19 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.93 -22.92 65.93 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.186 -0.915 . . . . 61.0 110.808 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.3 m -78.61 106.82 10.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.133 -0.485 . . . . 61.0 111.398 -177.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -105.08 -34.92 7.8 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.666 -0.697 . . . . 61.0 109.773 171.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 32' ' ' ARG . 33.2 ptt180 -78.22 76.94 4.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 122.354 1.073 . . . . 61.0 109.07 171.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -65.4 121.39 14.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.485 -1.234 . . . . 61.0 112.327 -175.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.0 m -91.0 160.86 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.767 -0.651 . . . . 61.0 109.429 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.79 -40.46 69.47 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.824 0.305 . . . . 61.0 111.824 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m -60.58 -41.18 94.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.361 . . . . 61.0 111.557 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -82.05 -30.69 31.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 61.0 111.22 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -64.03 -42.51 97.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.957 0.408 . . . . 61.0 109.912 172.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.39 83.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.573 -0.739 . . . . 61.0 110.998 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.22 80.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.449 -0.342 . . . . 61.0 111.023 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.62 -47.9 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.442 -0.344 . . . . 61.0 111.307 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.9 p -67.09 -40.12 84.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.503 -0.317 . . . . 61.0 111.306 -176.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' HD3' HD11 ' A' ' 14' ' ' LEU . 98.0 mttt -69.95 -24.57 63.37 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.079 -0.249 . . . . 61.0 110.728 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.463 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -63.76 -49.61 72.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 61.0 110.323 177.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 62.8 t -65.64 -43.23 93.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.182 178.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.02 -41.97 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.402 -0.817 . . . . 61.0 112.349 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -86.63 -0.75 56.81 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.88 0.326 . . . . 61.0 111.88 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.65 15.85 65.02 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.504 -0.855 . . . . 61.0 112.874 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.415 HD21 ' HG ' ' A' ' 20' ' ' LEU . 48.5 tp -68.73 -53.11 23.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.423 0.63 . . . . 61.0 109.489 177.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 34.4 pt -129.35 169.61 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.327 -0.851 . . . . 61.0 109.39 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 10.2 t -95.5 159.53 14.95 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 110.126 -0.324 . . . . 61.0 110.126 175.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 29.6 tt0 -63.91 -42.7 97.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 61.0 110.647 -174.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -53.49 -40.73 65.58 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.823 -0.626 . . . . 61.0 110.336 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.487 ' HB3' ' O ' ' A' ' 51' ' ' THR . 16.9 tp10 -61.2 -51.85 67.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.308 -0.86 . . . . 61.0 110.294 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.14 -46.32 82.81 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.151 -0.477 . . . . 61.0 111.358 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.504 HD23 ' HB2' ' A' ' 66' ' ' PHE . 47.0 mt -65.64 -44.83 85.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.682 -0.69 . . . . 61.0 111.232 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.63 -48.29 67.17 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.314 0.487 . . . . 61.0 112.314 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm180 -64.79 -39.88 94.31 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.808 0.299 . . . . 61.0 111.808 -175.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -96.26 1.72 52.32 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.102 -0.239 . . . . 61.0 111.239 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.7 m 60.76 32.1 20.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.622 0.725 . . . . 61.0 110.661 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 65' ' ' GLU . 84.5 mt -87.88 153.13 21.56 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.29 -0.868 . . . . 61.0 109.526 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 m -95.74 159.64 14.88 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.611 -0.515 . . . . 61.0 109.611 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.54 ' HG2' ' HE1' ' A' ' 94' ' ' HIS . 31.2 tt0 -59.96 -34.11 72.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.032 0.444 . . . . 61.0 110.641 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.55 -39.37 76.52 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.576 -0.738 . . . . 61.0 111.093 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' HG2' HD21 ' A' ' 61' ' ' LEU . 15.8 tp10 -65.12 -55.9 16.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.821 -0.627 . . . . 61.0 110.114 -178.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.504 ' HB2' HD23 ' A' ' 56' ' ' LEU . 47.0 t80 -59.77 -31.58 69.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.605 -0.725 . . . . 61.0 110.883 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.2 94.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.03 -0.532 . . . . 61.0 110.442 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.39 -42.56 87.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.952 -0.567 . . . . 61.0 110.485 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -56.78 -54.42 46.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 61.0 111.339 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.468 ' HA ' HG21 ' A' ' 42' ' ' VAL . 13.2 ptm180 -64.81 -26.95 68.56 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.072 -0.251 . . . . 61.0 111.164 -177.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.5 m -75.28 -35.66 61.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.894 0.378 . . . . 61.0 110.642 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.92 -22.98 29.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 61.0 111.898 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.2 t -101.9 -57.84 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.031 0.382 . . . . 61.0 112.031 -177.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.97 -45.15 74.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.928 0.394 . . . . 61.0 110.833 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.02 -66.81 0.86 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.789 -0.449 . . . . 61.0 109.789 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 61.1 t60 72.97 -7.47 1.47 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.919 0.762 . . . . 61.0 111.697 174.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.01 98.66 0.13 Allowed Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.471 -0.871 . . . . 61.0 112.267 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.5 ' HA ' ' OH ' ' A' ' 89' ' ' TYR . 9.8 pt-20 -84.7 31.77 0.53 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.598 0.713 . . . . 61.0 110.122 177.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -83.27 -36.24 24.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.125 -0.943 . . . . 61.0 110.375 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.33 100.43 7.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.575 -0.738 . . . . 61.0 110.536 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 mp -87.47 78.87 8.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.994 0.426 . . . . 61.0 111.053 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.504 ' O ' HD13 ' A' ' 86' ' ' ILE . 88.2 tttt -84.92 156.5 21.19 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.572 -0.899 . . . . 61.0 108.572 173.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.472 ' HA ' HD12 ' A' ' 86' ' ' ILE . 9.9 p -52.31 -32.24 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.888 0.375 . . . . 61.0 111.942 -177.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.3 m -74.45 -16.47 60.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.232 0.539 . . . . 61.0 111.21 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.6 mmt -84.37 -32.67 24.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.202 -0.454 . . . . 61.0 111.738 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.504 HD13 ' O ' ' A' ' 82' ' ' LYS . 4.3 mp -60.19 -40.07 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.82 -0.173 . . . . 61.0 111.382 -174.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -62.75 -32.16 73.24 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.819 -0.352 . . . . 61.0 110.722 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -73.98 -30.81 62.69 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.042 -0.263 . . . . 61.0 110.61 177.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.5 ' OH ' ' HA ' ' A' ' 78' ' ' GLU . 22.8 m-85 -72.41 -27.33 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 61.0 110.225 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -72.92 -39.59 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.512 . . . . 61.0 109.936 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -76.0 -18.4 59.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.638 0.733 . . . . 61.0 109.994 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 tp -70.79 -29.63 65.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.257 -0.883 . . . . 61.0 111.021 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -44.35 113.68 0.57 Allowed 'General case' 0 N--CA 1.465 0.323 0 O-C-N 124.273 0.983 . . . . 61.0 112.182 -173.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.54 ' HE1' ' HG2' ' A' ' 63' ' ' GLU . 33.5 t-80 -131.4 42.15 3.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.444 -0.798 . . . . 61.0 109.697 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.2 t60 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 115.495 -0.775 . . . . 61.0 109.058 178.833 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.821 0.343 . . . . 61.0 110.794 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -134.6 80.77 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.403 -0.362 . . . . 61.0 110.809 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.1 mm? 70.52 -43.97 0.56 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.663 0.785 . . . . 61.0 113.078 174.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -77.73 106.57 9.63 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.972 0.415 . . . . 61.0 110.483 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -146.98 140.8 25.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.791 -0.64 . . . . 61.0 110.493 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -88.16 130.3 37.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.811 -0.811 . . . . 61.0 108.811 170.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.83 -56.42 21.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.105 0.479 . . . . 61.0 110.596 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.68 105.5 1.63 Allowed Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.826 -0.702 . . . . 61.0 111.775 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -56.56 144.79 83.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.733 2.289 . . . . 61.0 111.559 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 10' ' ' ARG . 55.0 mtt180 -82.13 -29.14 31.83 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.971 -0.292 . . . . 61.0 111.379 -174.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 18.0 pt20 -152.01 144.24 23.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.102 0.477 . . . . 61.0 111.658 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.5 m -128.1 -177.75 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.447 -0.797 . . . . 61.0 109.973 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 m -119.0 146.99 44.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.726 0.298 . . . . 61.0 110.638 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.661 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.0 mm? -94.62 159.09 34.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 110.129 -0.323 . . . . 61.0 110.129 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.08 -13.45 33.89 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.296 1.997 . . . . 61.0 110.041 171.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.21 -15.44 60.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.508 -1.223 . . . . 61.0 110.092 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.49 2.56 63.45 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.632 -0.713 . . . . 61.0 111.723 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.522 ' HB ' HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.64 171.21 10.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.703 0.287 . . . . 61.0 111.028 -177.817 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.4 t -109.2 137.28 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.421 -0.354 . . . . 61.0 110.126 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.57 ' HB2' HD23 ' A' ' 14' ' ' LEU . 57.1 tp -126.33 101.23 6.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.998 0.427 . . . . 61.0 110.51 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 1.2 m -91.96 166.89 12.47 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.408 -0.59 . . . . 61.0 109.408 176.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.606 ' NH1' HG23 ' A' ' 50' ' ' ILE . 69.9 mtp85 -69.03 -21.66 64.1 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.77 -0.456 . . . . 61.0 109.77 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.48 -7.66 59.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.832 -0.622 . . . . 61.0 111.103 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.05 -8.7 55.17 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.392 -0.367 . . . . 61.0 110.438 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.472 HD11 HG21 ' A' ' 50' ' ' ILE . 68.0 mt -64.75 146.9 98.39 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.927 -0.579 . . . . 61.0 110.647 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.82 148.19 89.87 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.766 2.311 . . . . 61.0 112.257 -179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.482 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 9.7 Cg_endo -53.98 143.7 60.05 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.87 2.38 . . . . 61.0 112.508 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.52 -24.77 67.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.806 -0.634 . . . . 61.0 111.588 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.93 -6.56 57.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.128 -0.487 . . . . 61.0 111.23 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.482 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 99.9 m -68.24 102.64 1.4 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.335 0.588 . . . . 61.0 110.934 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -103.63 -26.25 12.86 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.824 -1.176 . . . . 61.0 107.824 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -77.2 74.53 3.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.521 -1.218 . . . . 61.0 108.979 172.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -72.52 124.99 26.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.257 -0.883 . . . . 61.0 112.192 -175.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -105.5 158.43 6.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.241 -0.89 . . . . 61.0 109.358 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.05 -40.18 63.8 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.063 0.394 . . . . 61.0 112.063 -176.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -63.85 -37.81 88.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.472 -0.331 . . . . 61.0 111.382 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -80.59 -28.98 36.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.733 0.302 . . . . 61.0 110.585 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -64.0 -46.57 83.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.215 -0.448 . . . . 61.0 109.874 171.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.28 80.19 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.417 -0.811 . . . . 61.0 110.911 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.57 93.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.3 -0.409 . . . . 61.0 111.161 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.79 -50.26 50.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.442 -0.344 . . . . 61.0 111.265 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 70' ' ' ARG . 11.8 p -66.75 -40.92 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 61.0 111.263 -175.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.661 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.9 mttt -67.94 -29.24 68.25 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.348 -0.241 . . . . 61.0 110.348 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.42 92.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.494 -0.321 . . . . 61.0 110.864 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.495 HG22 HG13 ' A' ' 50' ' ' ILE . 44.1 t -70.35 -42.19 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.002 0.429 . . . . 61.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 42' ' ' VAL . 57.5 mt -64.04 -29.33 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.201 -0.454 . . . . 61.0 111.424 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -90.6 -9.2 47.9 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.228 -0.295 . . . . 61.0 111.382 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.76 27.7 45.49 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.456 -0.878 . . . . 61.0 112.223 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.458 HD21 ' HG ' ' A' ' 20' ' ' LEU . 36.4 tp -78.71 -44.55 23.29 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.965 -0.754 . . . . 61.0 108.965 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.606 HG23 ' NH1' ' A' ' 22' ' ' ARG . 29.4 pt -130.7 164.19 34.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.876 -1.056 . . . . 61.0 108.632 174.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.1 t -91.5 152.07 20.49 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.143 0.497 . . . . 61.0 110.204 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 10.8 tt0 -61.93 -35.94 79.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.654 -0.703 . . . . 61.0 110.324 -175.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -33.57 76.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.522 -0.763 . . . . 61.0 110.005 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 52.0 tt0 -69.35 -43.72 73.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.932 -0.576 . . . . 61.0 110.285 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.74 94.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.964 0.411 . . . . 61.0 110.813 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 44.6 mt -66.13 -33.0 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.756 -0.656 . . . . 61.0 110.96 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -78.8 -53.64 6.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.296 -0.411 . . . . 61.0 111.218 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.1 ptm180 -67.61 -30.23 69.76 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.176 -0.465 . . . . 61.0 111.997 -174.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.466 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 52.9 m-85 -102.96 0.93 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.798 -0.361 . . . . 61.0 111.379 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 m 56.41 58.48 4.2 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.633 0.73 . . . . 61.0 110.52 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 65' ' ' GLU . 93.8 mt -117.29 -175.69 2.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.16 -0.927 . . . . 61.0 110.084 -178.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -135.69 163.03 31.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.816 -0.629 . . . . 61.0 109.741 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -51.48 -47.73 63.1 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.324 0.39 . . . . 61.0 111.128 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 16.4 pt-20 -53.8 -37.49 63.57 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.511 0.507 . . . . 61.0 111.452 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' HG2' HD21 ' A' ' 61' ' ' LEU . 10.9 tp10 -70.67 -58.94 3.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.095 -0.502 . . . . 61.0 110.046 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -61.91 -33.37 74.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.955 -0.566 . . . . 61.0 111.09 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HA ' ' HD2' ' A' ' 70' ' ' ARG . . . -61.71 -35.52 78.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 61.0 110.876 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 95.3 mt -72.74 -42.9 63.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.395 -0.366 . . . . 61.0 110.048 176.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -55.5 -50.47 69.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 61.0 110.812 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.558 ' HA ' HG22 ' A' ' 42' ' ' VAL . 6.9 ptm180 -66.35 -31.23 71.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 61.0 110.76 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.53 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 6.9 t -75.6 -30.39 59.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.847 0.356 . . . . 61.0 110.752 -178.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -88.18 -42.96 11.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.439 -0.346 . . . . 61.0 111.565 -178.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.5 t -81.06 -55.4 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 111.889 0.329 . . . . 61.0 111.889 -174.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.636 ' HB2' HD11 ' A' ' 92' ' ' LEU . . . -73.05 -38.7 66.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.819 0.342 . . . . 61.0 111.535 -174.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.584 ' HA ' ' HE1' ' A' ' 89' ' ' TYR . . . -89.71 24.64 2.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.086 0.47 . . . . 61.0 110.953 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 48.4 t60 -79.71 -17.17 54.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 61.0 110.09 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.91 52.45 3.96 Favored Glycine 0 C--N 1.332 0.356 0 N-CA-C 111.169 -0.772 . . . . 61.0 111.169 174.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -89.86 -13.25 36.86 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 123.198 0.599 . . . . 61.0 111.698 -172.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -89.02 -18.98 26.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.22 -0.445 . . . . 61.0 110.612 -173.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.38 105.99 2.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.768 -0.651 . . . . 61.0 110.248 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.576 ' HG ' ' HE2' ' A' ' 89' ' ' TYR . 11.1 mp -77.48 81.7 3.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.211 0.529 . . . . 61.0 110.519 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.62 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 24.3 tptm -69.72 153.95 42.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.389 -0.967 . . . . 61.0 108.389 172.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' HA ' HD12 ' A' ' 86' ' ' ILE . 9.4 p -50.57 -35.23 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 120.921 0.391 . . . . 61.0 111.556 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.601 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 11.7 m -63.65 -36.39 83.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.043 -0.526 . . . . 61.0 110.782 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.62 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 0.8 OUTLIER -68.13 -35.53 78.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.96 -0.564 . . . . 61.0 110.63 -177.531 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.53 HD13 ' O ' ' A' ' 82' ' ' LYS . 4.4 mp -64.62 -41.05 91.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.737 -0.468 . . . . 61.0 109.737 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -60.4 -41.72 94.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.872 -0.604 . . . . 61.0 109.763 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 84' ' ' THR . 13.2 mmtt -64.61 -38.74 92.03 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.948 -0.569 . . . . 61.0 110.436 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.584 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 18.6 m-85 -63.36 -35.33 80.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.475 -0.33 . . . . 61.0 111.11 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -74.56 -41.27 60.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.516 -0.311 . . . . 61.0 111.067 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -84.52 -7.04 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.257 0.551 . . . . 61.0 110.627 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.636 HD11 ' HB2' ' A' ' 74' ' ' ALA . 7.4 tt -70.15 -32.85 71.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.505 -0.77 . . . . 61.0 109.094 171.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -82.41 128.86 34.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.384 -0.825 . . . . 61.0 110.404 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -125.9 179.98 4.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.87 -0.604 . . . . 61.0 110.621 177.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.6 p80 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.793 -0.622 . . . . 61.0 109.349 179.45 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.67 ' HB3' ' HB3' ' A' ' 5' ' ' ARG . 12.7 tpt . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 109.563 -0.532 . . . . 61.0 109.563 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -60.03 130.92 49.11 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 110.113 -0.328 . . . . 61.0 110.113 177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt 66.88 35.13 5.0 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.618 0.574 . . . . 61.0 110.16 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 67.69 -82.93 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.194 -0.912 . . . . 61.0 110.558 -175.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.67 ' HB3' ' HB3' ' A' ' 1' ' ' MET . 19.4 tpp180 64.16 124.77 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.931 0.769 . . . . 61.0 111.33 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.1 t -86.76 110.67 20.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.071 -0.513 . . . . 61.0 111.733 -174.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -136.78 119.13 15.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.758 -0.656 . . . . 61.0 109.504 171.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.65 -148.21 10.41 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.564 -0.827 . . . . 61.0 111.795 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.75 140.3 26.03 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.959 2.439 . . . . 61.0 112.085 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -91.98 -10.63 38.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.263 -0.426 . . . . 61.0 110.105 175.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.559 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.5 pt20 -154.12 136.14 14.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.796 -0.638 . . . . 61.0 110.756 175.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 m -118.4 161.71 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.527 -0.761 . . . . 61.0 110.724 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -95.9 140.54 30.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.973 -0.558 . . . . 61.0 110.804 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.666 HD11 ' HD3' ' A' ' 43' ' ' LYS . 3.3 mm? -96.03 152.92 39.23 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.717 -0.475 . . . . 61.0 109.717 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -69.41 -9.59 26.64 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.269 1.979 . . . . 61.0 110.555 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.77 -5.43 59.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.645 -1.161 . . . . 61.0 109.824 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.51 17.3 64.42 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.67 -0.695 . . . . 61.0 112.232 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -101.05 168.69 9.44 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.107 -0.331 . . . . 61.0 110.107 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.12 127.57 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.639 -0.504 . . . . 61.0 109.639 175.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.563 ' HB2' HD23 ' A' ' 14' ' ' LEU . 35.1 tp -115.63 107.83 15.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.278 -0.419 . . . . 61.0 110.268 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.559 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 80.6 p -94.3 168.01 11.17 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.788 -0.449 . . . . 61.0 109.788 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.6 ' HE ' HG21 ' A' ' 50' ' ' ILE . 49.5 mtp180 -70.98 -10.56 59.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.898 0.38 . . . . 61.0 110.233 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.86 -12.46 22.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.865 -0.607 . . . . 61.0 110.72 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -85.14 -8.16 58.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.01 0.433 . . . . 61.0 110.072 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' HB3' ' HH ' ' A' ' 59' ' ' TYR . 65.6 mt -63.52 140.69 97.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.599 -0.728 . . . . 61.0 110.333 174.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.01 142.45 65.09 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.146 2.564 . . . . 61.0 111.837 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.09 156.88 52.31 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.589 2.192 . . . . 61.0 112.741 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 mt -67.33 -21.7 65.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.863 -0.608 . . . . 61.0 110.238 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.47 -20.61 66.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.207 -0.906 . . . . 61.0 111.311 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.528 HG22 ' HD3' ' A' ' 37' ' ' ARG . 52.9 m -67.35 115.21 6.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.478 0.656 . . . . 61.0 112.511 -178.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.458 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 15.7 tpt180 -108.01 -40.76 5.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.486 -0.779 . . . . 61.0 109.506 168.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -69.56 87.04 0.47 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.486 0.66 . . . . 61.0 110.381 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.442 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 97.1 m95 -76.79 100.09 5.36 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.394 -0.821 . . . . 61.0 111.489 177.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.15 172.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.824 -0.625 . . . . 61.0 109.718 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.3 -41.4 84.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.71 0.291 . . . . 61.0 111.45 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -58.87 -50.33 74.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.073 -0.512 . . . . 61.0 111.218 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.528 ' HD3' HG22 ' A' ' 30' ' ' THR . 89.0 mtt180 -70.4 -37.71 74.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.977 -0.556 . . . . 61.0 111.501 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 33' ' ' TRP . 63.7 mttm -61.47 -43.17 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 61.0 110.592 176.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.54 -42.93 99.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.848 -0.615 . . . . 61.0 111.357 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.68 87.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.446 -0.343 . . . . 61.0 111.144 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.95 -49.43 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 61.0 111.337 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.439 HG22 ' HA ' ' A' ' 70' ' ' ARG . 13.9 p -66.85 -38.66 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.531 -0.304 . . . . 61.0 111.308 -176.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.666 ' HD3' HD11 ' A' ' 14' ' ' LEU . 98.8 mttt -67.55 -27.1 66.67 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.609 0.242 . . . . 61.0 110.708 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.457 ' HB3' HD21 ' A' ' 25' ' ' LEU . . . -65.26 -50.82 64.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.359 . . . . 61.0 111.058 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 50' ' ' ILE . 54.5 t -67.18 -40.55 85.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.326 0.584 . . . . 61.0 109.904 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.4 HG22 ' CD ' ' A' ' 91' ' ' GLN . 4.3 mt -57.6 -37.5 58.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 114.995 -1.002 . . . . 61.0 112.241 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -95.26 4.26 53.69 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.663 -0.415 . . . . 61.0 111.698 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.76 15.77 78.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 61.0 112.888 176.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.4 tp -65.91 -51.19 60.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.685 0.755 . . . . 61.0 109.446 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.6 HG21 ' HE ' ' A' ' 22' ' ' ARG . 37.4 pt -125.17 168.36 18.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.821 -1.081 . . . . 61.0 108.976 175.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.408 HG21 ' H ' ' A' ' 54' ' ' GLU . 6.1 t -90.54 152.42 20.92 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.438 0.637 . . . . 61.0 110.845 177.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 17.6 tt0 -56.89 -38.86 73.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.954 -1.021 . . . . 61.0 110.555 -177.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' A' ' 53' ' ' ARG . 16.4 mmt180 -74.9 -21.15 59.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.424 -0.807 . . . . 61.0 111.152 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.577 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 42.5 tt0 -70.63 -45.94 64.27 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.484 -0.561 . . . . 61.0 109.484 175.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.48 93.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.733 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.534 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 32.7 mt -68.06 -26.51 65.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.616 . . . . 61.0 110.8 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -85.21 -55.99 3.76 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.965 -0.294 . . . . 61.0 111.638 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.577 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.6 ptm180 -65.09 -24.18 67.37 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.226 0.454 . . . . 61.0 112.226 -174.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.554 ' HH ' ' HB3' ' A' ' 25' ' ' LEU . 38.2 m-85 -114.29 4.87 15.58 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.63 -0.428 . . . . 61.0 111.155 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 p 47.93 63.12 2.16 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.912 0.863 . . . . 61.0 110.756 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 85.2 mt -109.21 147.49 32.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.858 -1.064 . . . . 61.0 109.686 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.41 ' HB3' ' OE1' ' A' ' 64' ' ' GLU . 21.7 m -89.52 156.96 18.29 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.038 -0.528 . . . . 61.0 109.918 177.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -57.92 -41.32 82.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.524 -0.762 . . . . 61.0 110.752 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.8 pm0 -68.57 -32.48 72.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.808 -0.633 . . . . 61.0 110.819 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -62.7 -56.91 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.51 -0.552 . . . . 61.0 109.51 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.09 -33.2 73.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.998 -0.546 . . . . 61.0 110.767 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 70' ' ' ARG . . . -59.44 -40.83 88.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 61.0 110.534 176.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 90.7 mt -65.8 -46.7 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.564 177.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -52.64 -48.84 66.15 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.089 -0.505 . . . . 61.0 111.101 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.439 ' HA ' HG22 ' A' ' 42' ' ' VAL . 8.4 ptm180 -72.0 -30.79 65.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.406 -0.361 . . . . 61.0 110.783 -176.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.492 ' O ' ' HB1' ' A' ' 75' ' ' ALA . 27.2 m -76.47 -17.89 59.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.976 0.417 . . . . 61.0 110.797 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.67 -42.66 8.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 61.0 111.511 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -89.65 -52.84 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.031 0.382 . . . . 61.0 112.031 -175.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.31 -28.3 56.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.815 0.34 . . . . 61.0 111.291 -175.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 71' ' ' SER . . . -91.26 8.79 34.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.174 -0.466 . . . . 61.0 110.645 177.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -75.31 113.54 12.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.754 -0.832 . . . . 61.0 108.754 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.24 19.66 7.04 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.8 -0.714 . . . . 61.0 111.719 -174.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.571 ' HA ' ' HH ' ' A' ' 89' ' ' TYR . 13.2 pt-20 -69.77 -5.02 22.57 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.294 0.568 . . . . 61.0 110.987 178.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -91.8 -2.27 56.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.745 -0.662 . . . . 61.0 110.376 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -155.32 91.09 1.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.844 -0.616 . . . . 61.0 110.041 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.541 ' HG ' ' HE2' ' A' ' 89' ' ' TYR . 11.2 mp -74.17 83.89 1.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.388 0.614 . . . . 61.0 111.64 -176.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 85' ' ' MET . 87.1 tttt -73.3 156.82 38.05 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.016 -1.105 . . . . 61.0 108.016 168.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.39 -34.17 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 121.269 0.557 . . . . 61.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.434 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 5.7 m -67.04 -21.33 65.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.574 -0.739 . . . . 61.0 111.577 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -78.53 -40.5 34.86 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.355 -0.384 . . . . 61.0 110.142 178.548 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.0 mp -65.34 -40.91 89.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.413 -0.358 . . . . 61.0 110.186 -177.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.651 ' O ' ' HG2' ' A' ' 91' ' ' GLN . 6.1 tp-100 -55.62 -50.09 71.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.977 -0.556 . . . . 61.0 109.52 174.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.585 ' O ' ' HB2' ' A' ' 92' ' ' LEU . 35.6 mtmm -59.37 -35.69 74.37 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.858 -0.61 . . . . 61.0 111.416 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.571 ' HH ' ' HA ' ' A' ' 78' ' ' GLU . 20.5 m-85 -71.29 -29.25 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 61.0 111.168 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -77.23 -26.95 53.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.999 0.428 . . . . 61.0 110.447 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.651 ' HG2' ' O ' ' A' ' 87' ' ' GLN . 1.5 pt20 -99.97 14.83 29.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.987 0.899 . . . . 61.0 109.452 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.585 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 5.4 tt -114.71 117.09 29.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.716 -1.129 . . . . 61.0 108.709 177.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -94.75 113.55 25.34 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.811 -0.44 . . . . 61.0 109.811 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -138.26 175.28 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.065 -0.516 . . . . 61.0 110.564 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 p80 . . . . . 0 C--O 1.246 0.876 0 N-CA-C 109.403 -0.592 . . . . 61.0 109.403 172.757 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 111.482 0.178 . . . . 61.0 111.482 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -136.79 111.37 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 61.0 111.474 -171.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.8 mt -92.15 104.27 16.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.923 -0.58 . . . . 61.0 110.221 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -75.42 -31.22 60.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.67 -0.695 . . . . 61.0 109.375 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.4 ttt-85 -134.29 100.45 4.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.502 -0.772 . . . . 61.0 109.041 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.77 93.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.144 0.497 . . . . 61.0 110.778 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.414 ' HB3' HH12 ' A' ' 10' ' ' ARG . 15.6 t70 -86.59 56.1 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.182 -0.673 . . . . 61.0 109.182 177.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' HA3' ' HD2' ' A' ' 22' ' ' ARG . . . 66.19 178.12 8.37 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.206 -0.907 . . . . 61.0 112.709 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.515 ' HD2' HD13 ' A' ' 49' ' ' LEU . 1.3 Cg_endo -84.25 19.85 1.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.091 2.527 . . . . 61.0 111.55 175.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.414 HH12 ' HB3' ' A' ' 7' ' ' ASP . 4.9 mmp_? 72.14 -55.05 0.68 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.686 0.794 . . . . 61.0 111.267 -176.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.43 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.7 pt20 -147.71 151.2 35.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.761 0.315 . . . . 61.0 110.956 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.2 m -130.01 165.66 29.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.575 . . . . 61.0 110.403 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.7 m -102.37 142.36 33.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.972 0.415 . . . . 61.0 110.949 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.1 mm? -96.03 151.15 38.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.287 -0.415 . . . . 61.0 109.932 176.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -69.11 -12.69 34.76 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.121 1.881 . . . . 61.0 110.016 171.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.91 -7.22 55.14 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.431 -1.259 . . . . 61.0 109.464 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.0 14.16 70.13 Favored Glycine 0 C--N 1.334 0.458 0 CA-C-N 115.776 -0.647 . . . . 61.0 112.332 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.528 ' HB ' HD21 ' A' ' 14' ' ' LEU . 2.1 m -98.96 167.71 10.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.57 0.224 . . . . 61.0 110.807 -177.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.3 t -114.02 123.55 69.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.682 -0.488 . . . . 61.0 109.682 174.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.633 ' HB2' HD23 ' A' ' 14' ' ' LEU . 46.8 tp -116.43 115.45 25.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.041 0.448 . . . . 61.0 110.229 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 8.7 m -107.64 161.54 14.77 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.921 -0.582 . . . . 61.0 110.18 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.594 ' NH1' HG23 ' A' ' 50' ' ' ILE . 75.1 mtp85 -65.92 -25.1 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.684 0.278 . . . . 61.0 111.59 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.39 -5.06 50.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.877 0.37 . . . . 61.0 110.566 176.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -88.71 -16.5 32.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.179 0.514 . . . . 61.0 109.85 178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.8 mt -55.77 146.89 44.59 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 115.273 -0.876 . . . . 61.0 110.525 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.06 149.12 64.63 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.934 2.423 . . . . 61.0 112.477 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.611 ' O ' HG22 ' A' ' 30' ' ' THR . 19.4 Cg_endo -60.7 157.09 39.09 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.697 2.265 . . . . 61.0 111.56 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.452 HD21 ' O ' ' A' ' 58' ' ' ARG . 48.9 mt -74.15 -6.71 49.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.101 0.477 . . . . 61.0 110.931 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.9 -13.2 54.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.813 -0.63 . . . . 61.0 111.764 -175.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 27' ' ' PRO . 7.2 t -71.95 111.47 7.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.894 0.854 . . . . 61.0 112.513 -171.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -104.56 -29.75 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.355 -0.839 . . . . 61.0 109.301 168.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -79.98 71.72 6.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.903 0.858 . . . . 61.0 109.386 174.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -67.1 103.29 1.16 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.011 -0.995 . . . . 61.0 112.087 -176.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 m -82.65 163.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.778 -0.646 . . . . 61.0 109.616 172.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.18 81.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 61.0 111.186 -176.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 m -58.56 -37.09 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 61.0 111.458 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -80.14 -41.56 25.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.63 -0.259 . . . . 61.0 111.075 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -61.39 -45.3 94.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 61.0 110.749 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.35 91.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.852 -0.613 . . . . 61.0 111.075 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.45 80.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.451 -0.341 . . . . 61.0 111.013 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.3 t -62.79 -49.62 82.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.151 -0.477 . . . . 61.0 111.266 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 70' ' ' ARG . 14.0 p -68.75 -41.25 82.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.378 -0.373 . . . . 61.0 111.225 -176.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.506 ' HD3' HD12 ' A' ' 14' ' ' LEU . 44.0 mttm -65.56 -29.87 70.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.622 0.249 . . . . 61.0 110.354 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HB1' HD21 ' A' ' 20' ' ' LEU . . . -61.95 -45.64 92.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 61.0 110.6 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.44 HG22 HG13 ' A' ' 50' ' ' ILE . 51.6 t -68.65 -40.31 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 61.0 110.878 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 42' ' ' VAL . 79.3 mt -67.32 -23.81 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 115.86 -0.609 . . . . 61.0 111.419 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -99.37 -7.42 26.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.835 0.309 . . . . 61.0 111.835 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.37 19.31 60.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.421 -0.895 . . . . 61.0 112.564 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD13 ' HD2' ' A' ' 9' ' ' PRO . 50.2 tp -73.89 -41.7 61.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.563 0.697 . . . . 61.0 109.256 176.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.594 HG23 ' NH1' ' A' ' 22' ' ' ARG . 33.7 pt -134.71 165.49 31.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.851 -1.068 . . . . 61.0 108.483 175.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 54' ' ' GLU . 3.1 t -93.32 154.29 18.07 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 120.517 -0.473 . . . . 61.0 110.085 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 33.3 tt0 -55.45 -43.9 75.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 61.0 110.675 -177.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HD2' HD12 ' A' ' 56' ' ' LEU . 5.7 mmm180 -66.53 -32.38 73.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.784 -0.644 . . . . 61.0 111.301 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 34.6 tt0 -64.93 -42.87 94.31 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.667 -0.494 . . . . 61.0 109.667 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.05 99.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.221 0.534 . . . . 61.0 110.512 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 62.7 mt -69.35 -28.69 66.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.531 -0.759 . . . . 61.0 111.322 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -94.71 -24.53 17.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.879 0.696 . . . . 61.0 112.879 -175.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm180 -84.43 -18.18 36.81 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.2 -0.6 . . . . 61.0 110.868 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.406 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 71.9 m-85 -117.37 0.88 12.31 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.049 -0.26 . . . . 61.0 111.314 178.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.3 m 59.15 38.36 23.71 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.275 0.56 . . . . 61.0 111.314 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.522 HD23 ' HG2' ' A' ' 65' ' ' GLU . 93.3 mt -91.93 167.2 12.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.82 -0.627 . . . . 61.0 111.171 -176.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -105.56 163.5 12.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.685 -0.689 . . . . 61.0 109.948 175.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.49 -38.29 89.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 120.677 0.275 . . . . 61.0 110.668 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.49 -28.53 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.438 -0.346 . . . . 61.0 111.096 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HG2' HD23 ' A' ' 61' ' ' LEU . 7.6 tp10 -67.27 -56.87 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.01 -0.737 . . . . 61.0 109.01 176.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.64 -32.42 70.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.079 -0.964 . . . . 61.0 110.621 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 70' ' ' ARG . . . -61.43 -41.15 96.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 61.0 110.927 177.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.72 -42.58 86.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.274 -0.421 . . . . 61.0 110.168 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -58.81 -54.25 49.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.799 -0.637 . . . . 61.0 111.069 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.556 ' HA ' HG22 ' A' ' 42' ' ' VAL . 11.2 ptm180 -64.61 -26.92 68.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.438 -0.346 . . . . 61.0 111.117 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 t -72.91 -43.63 62.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 61.0 110.232 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.613 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -78.66 -39.36 37.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.17 -0.468 . . . . 61.0 111.879 -175.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.4 t -79.18 -43.58 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.053 0.39 . . . . 61.0 112.053 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.23 -42.18 32.03 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.889 -0.324 . . . . 61.0 111.491 -175.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.423 ' HB1' HD13 ' A' ' 92' ' ' LEU . . . -84.21 16.33 3.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.846 0.355 . . . . 61.0 111.304 -176.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.613 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 40.9 t-80 -102.01 6.2 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.131 0.491 . . . . 61.0 109.769 177.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.03 78.05 0.78 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.692 -0.766 . . . . 61.0 111.345 176.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.44 ' OE2' ' HG3' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -96.49 -14.46 22.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.11 0.481 . . . . 61.0 110.981 -175.677 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HG3' ' OE2' ' A' ' 78' ' ' GLU . 55.8 mttp -78.57 -50.47 11.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.928 -0.578 . . . . 61.0 111.89 -172.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -130.57 125.31 33.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.839 0.352 . . . . 61.0 111.248 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.7 mp -125.04 89.36 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.893 -0.594 . . . . 61.0 110.196 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.533 ' O ' HD11 ' A' ' 86' ' ' ILE . 86.2 tttt -71.02 154.22 41.98 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.597 -0.89 . . . . 61.0 108.597 173.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -54.41 -29.46 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-O 121.264 0.554 . . . . 61.0 111.333 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.0 m -76.11 -23.46 54.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.262 0.553 . . . . 61.0 111.139 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 58.7 mtt -76.78 -32.09 57.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.705 -0.68 . . . . 61.0 111.27 -175.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.533 HD11 ' O ' ' A' ' 82' ' ' LYS . 4.4 mp -59.13 -38.06 71.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 61.0 110.324 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -51.41 -49.6 61.28 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.416 0.627 . . . . 61.0 110.737 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.65 ' HA ' ' HE3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -64.06 -31.62 72.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.323 -0.853 . . . . 61.0 110.483 -178.8 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -82.16 -18.6 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 61.0 111.223 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 86' ' ' ILE . 21.7 mtm180 -83.38 -23.34 32.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.756 0.313 . . . . 61.0 110.47 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -100.1 14.49 30.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.438 0.637 . . . . 61.0 109.843 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.423 HD13 ' HB1' ' A' ' 75' ' ' ALA . 5.8 tt -60.03 -47.69 84.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.856 -1.066 . . . . 61.0 111.097 -178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -107.63 -49.87 3.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.835 0.35 . . . . 61.0 110.271 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -146.57 -91.13 0.09 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.217 -0.447 . . . . 61.0 110.337 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.2 m80 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 117.862 -1.066 . . . . 61.0 109.348 -175.573 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.703 ' HG2' ' H ' ' A' ' 2' ' ' TYR . 12.7 ttt . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 108.997 -0.742 . . . . 61.0 108.997 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.703 ' H ' ' HG2' ' A' ' 1' ' ' MET . 61.0 m-85 -76.69 -66.33 0.83 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.741 0.305 . . . . 61.0 111.096 -176.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.64 -41.49 23.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.585 0.707 . . . . 61.0 109.275 177.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -86.52 77.62 9.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.227 -0.897 . . . . 61.0 109.48 176.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -123.19 143.9 49.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.243 -0.435 . . . . 61.0 110.258 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -70.68 129.23 34.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.639 -0.504 . . . . 61.0 109.639 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -69.91 108.22 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.206 0.527 . . . . 61.0 111.055 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.68 149.58 21.06 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.424 -0.807 . . . . 61.0 111.231 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.47 160.01 50.95 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.86 2.373 . . . . 61.0 112.153 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -81.6 -23.88 36.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.834 -0.621 . . . . 61.0 110.05 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.57 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.9 pt20 -154.49 143.0 20.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.74 -0.664 . . . . 61.0 110.846 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.0 m -122.65 161.51 23.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.958 -0.564 . . . . 61.0 110.345 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 m -96.37 141.57 29.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.897 0.38 . . . . 61.0 110.955 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -91.87 142.8 26.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 109.53 -0.544 . . . . 61.0 109.53 174.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.443 ' HD3' ' CE1' ' A' ' 47' ' ' HIS . 23.4 Cg_exo -63.82 -8.96 17.05 Favored 'Trans proline' 0 CA--C 1.527 0.146 0 C-N-CA 122.663 2.242 . . . . 61.0 110.94 172.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -85.24 -2.44 58.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.105 -0.952 . . . . 61.0 110.036 177.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.16 59.21 3.44 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.526 -0.629 . . . . 61.0 111.526 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.6 m -150.51 166.47 30.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.58 -0.526 . . . . 61.0 109.58 -177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -111.56 130.47 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.686 0.279 . . . . 61.0 110.67 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.598 ' HB2' HD21 ' A' ' 14' ' ' LEU . 61.1 tp -119.06 99.22 6.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.57 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 87.0 p -89.36 172.23 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.284 -0.636 . . . . 61.0 109.284 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -70.12 -13.49 62.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.289 0.566 . . . . 61.0 110.055 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.07 -7.06 52.82 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.921 -0.581 . . . . 61.0 110.859 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.422 ' HB2' HD11 ' A' ' 20' ' ' LEU . 10.8 m-20 -87.88 -4.69 58.83 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.183 -0.462 . . . . 61.0 110.429 177.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.438 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 85.3 mt -68.92 148.14 97.89 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.736 -0.666 . . . . 61.0 110.306 175.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.77 150.16 88.57 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.56 2.173 . . . . 61.0 111.697 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.67 166.1 27.18 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.755 2.303 . . . . 61.0 112.945 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.32 -13.81 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.903 -0.589 . . . . 61.0 111.084 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -80.91 0.29 35.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.527 . . . . 61.0 110.449 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.523 HG22 ' HD3' ' A' ' 37' ' ' ARG . 99.8 m -83.65 120.04 25.49 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.609 0.719 . . . . 61.0 111.795 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -128.73 -31.16 2.23 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.872 -1.058 . . . . 61.0 108.698 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -78.19 79.74 4.63 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 107.917 -1.142 . . . . 61.0 107.917 171.448 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -75.46 110.72 10.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.359 -0.837 . . . . 61.0 112.042 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.3 m -89.94 170.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.636 -0.711 . . . . 61.0 109.925 172.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.27 -44.69 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.864 0.32 . . . . 61.0 111.864 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 p -60.93 -41.35 96.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.999 0.428 . . . . 61.0 111.447 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.523 ' HD3' HG22 ' A' ' 30' ' ' THR . 76.4 mtt180 -71.03 -38.41 72.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 61.0 111.286 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.28 -42.27 93.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.883 0.373 . . . . 61.0 110.474 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.38 98.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.837 -0.619 . . . . 61.0 111.333 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.29 92.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.714 0.293 . . . . 61.0 110.994 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.99 -52.79 49.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.354 -0.385 . . . . 61.0 111.128 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.547 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -66.49 -40.16 85.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.322 -0.399 . . . . 61.0 111.32 -175.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.2 mttt -65.19 -31.58 72.84 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 120.616 0.246 . . . . 61.0 110.735 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.76 -45.05 95.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.276 -0.42 . . . . 61.0 110.379 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.68 -46.13 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.276 -0.42 . . . . 61.0 110.763 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 42' ' ' VAL . 74.5 mt -62.03 -30.14 48.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 116.025 -0.534 . . . . 61.0 111.7 -177.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.443 ' CE1' ' HD3' ' A' ' 15' ' ' PRO . 74.9 m-70 -92.96 -13.41 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.936 -0.306 . . . . 61.0 111.572 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.67 9.12 58.99 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.479 -0.867 . . . . 61.0 113.395 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.504 HD21 ' HG ' ' A' ' 20' ' ' LEU . 50.0 tp -62.77 -42.24 99.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.593 0.711 . . . . 61.0 109.715 178.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.688 ' HB ' ' HG2' ' A' ' 54' ' ' GLU . 46.4 pt -133.82 177.24 7.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.021 -0.991 . . . . 61.0 108.862 175.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.622 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 3.5 t -106.09 158.0 17.13 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.893 -0.41 . . . . 61.0 109.893 175.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.561 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 30.6 tt0 -57.53 -40.79 79.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.153 0.501 . . . . 61.0 110.281 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.563 HH11 ' HB2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -66.29 -27.43 67.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 61.0 109.95 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.688 ' HG2' ' HB ' ' A' ' 50' ' ' ILE . 3.5 tp10 -66.4 -51.55 55.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.581 -0.736 . . . . 61.0 109.717 177.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.51 81.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.712 -0.677 . . . . 61.0 111.109 -176.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 77.7 mt -60.58 -35.47 76.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 61.0 111.335 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.563 ' HB2' HH11 ' A' ' 53' ' ' ARG . 30.7 t70 -79.97 -48.6 13.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.898 0.38 . . . . 61.0 111.534 -175.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -70.64 -35.51 72.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 61.0 111.799 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.438 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 45.4 m-85 -97.37 -4.55 38.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.069 -0.252 . . . . 61.0 111.022 -177.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.3 t 60.96 73.55 0.48 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.479 0.657 . . . . 61.0 109.851 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 88.8 mt -131.82 156.64 45.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.431 -0.804 . . . . 61.0 110.414 -178.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 m -102.74 159.27 15.62 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.101 -0.5 . . . . 61.0 109.663 176.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -60.45 -38.5 84.36 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.717 -0.219 . . . . 61.0 110.713 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.04 -36.74 80.35 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.942 0.401 . . . . 61.0 110.684 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -66.24 -53.77 33.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.318 -0.623 . . . . 61.0 109.318 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.479 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 54.7 t80 -60.28 -34.11 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.548 -0.751 . . . . 61.0 110.548 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.49 91.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.234 -0.439 . . . . 61.0 110.708 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.54 -44.31 97.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 61.0 110.11 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -58.9 -55.41 35.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.91 -0.586 . . . . 61.0 111.175 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.547 ' HA ' HG21 ' A' ' 42' ' ' VAL . 1.3 ptm180 -66.29 -33.08 74.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 61.0 111.465 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.1 t -71.3 -36.2 71.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.948 0.404 . . . . 61.0 110.272 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.24 -53.66 18.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 61.0 110.921 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.524 HG21 HG11 ' A' ' 42' ' ' VAL . 85.2 t -64.7 -41.13 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.865 -0.607 . . . . 61.0 111.562 -176.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.557 ' HA ' ' HD2' ' A' ' 88' ' ' LYS . . . -63.29 -48.1 79.5 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.786 0.327 . . . . 61.0 111.302 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.692 ' HA ' ' HB3' ' A' ' 78' ' ' GLU . . . -76.51 -13.34 60.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 61.0 111.43 -177.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -70.36 101.28 1.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.745 -0.835 . . . . 61.0 108.745 174.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.92 50.02 8.21 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.889 -0.885 . . . . 61.0 110.889 -171.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.692 ' HB3' ' HA ' ' A' ' 75' ' ' ALA . 8.8 pt-20 -84.29 -14.31 50.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.661 0.267 . . . . 61.0 111.216 -176.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.595 ' HB3' ' HZ3' ' A' ' 79' ' ' LYS . 7.9 mtpm? -84.26 -16.0 44.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.024 0.44 . . . . 61.0 110.524 -178.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.78 82.21 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.938 -0.574 . . . . 61.0 110.4 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.65 76.21 10.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.217 0.532 . . . . 61.0 110.506 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -71.36 156.82 39.05 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.863 -0.792 . . . . 61.0 108.863 173.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.56 -12.68 7.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.071 0.462 . . . . 61.0 111.578 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.0 m -112.72 16.83 19.49 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.391 0.615 . . . . 61.0 110.526 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.512 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 15.5 mmt -113.92 -4.33 13.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 61.0 111.908 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.58 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 5.2 mp -71.8 -27.65 28.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.864 -0.421 . . . . 61.0 109.864 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -56.34 -39.71 73.29 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.007 -0.542 . . . . 61.0 111.588 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.557 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 54.7 pttt -71.71 -11.12 60.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.996 0.427 . . . . 61.0 110.485 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.52 ' CZ ' ' HE3' ' A' ' 88' ' ' LYS . 19.5 m-85 -99.78 -9.26 23.18 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.677 -0.49 . . . . 61.0 109.677 174.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' A' ' 86' ' ' ILE . 30.2 mmm180 -84.19 -33.6 24.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 61.0 109.871 178.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -70.63 -10.15 58.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.432 0.634 . . . . 61.0 110.056 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.35 -33.44 72.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.42 -0.809 . . . . 61.0 110.739 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -99.51 26.64 5.92 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.046 0.45 . . . . 61.0 109.98 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 75.84 -76.3 0.06 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.017 -0.992 . . . . 61.0 111.579 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.605 -0.712 . . . . 61.0 109.789 -176.21 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 mmt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.185 -0.302 . . . . 61.0 110.185 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -90.62 -82.82 0.27 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.614 -0.266 . . . . 61.0 110.73 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.6 mp 64.53 -85.08 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.971 -0.559 . . . . 61.0 111.328 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -127.7 3.11 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.556 0.694 . . . . 61.0 110.079 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -132.24 129.15 39.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.603 -0.726 . . . . 61.0 110.242 -175.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.21 75.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.036 -0.728 . . . . 61.0 109.036 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -88.22 -24.49 23.26 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.148 -0.933 . . . . 61.0 111.021 -175.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.24 -177.15 23.91 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.636 -0.792 . . . . 61.0 111.953 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.67 160.93 27.97 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.989 2.459 . . . . 61.0 112.117 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -76.13 -22.69 55.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.306 0.574 . . . . 61.0 109.912 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.2 pt20 -149.06 138.09 21.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.271 -0.877 . . . . 61.0 110.582 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.425 HG21 ' HB2' ' A' ' 47' ' ' HIS . 19.5 m -118.56 149.57 20.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.841 -0.618 . . . . 61.0 110.364 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.427 HG21 ' O ' ' A' ' 14' ' ' LEU . 26.2 m -85.99 136.21 33.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.296 -0.411 . . . . 61.0 111.111 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.548 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -79.14 160.15 71.52 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 108.849 -0.797 . . . . 61.0 108.849 172.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -60.08 -20.35 60.63 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.31 2.007 . . . . 61.0 111.864 178.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -77.67 -22.52 50.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.234 -0.894 . . . . 61.0 111.179 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.16 -2.11 37.85 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.803 -0.713 . . . . 61.0 111.329 -174.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.13 166.69 23.26 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 122.291 0.236 . . . . 61.0 110.944 178.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.68 131.52 57.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.105 0.479 . . . . 61.0 111.134 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.548 ' HB2' HD23 ' A' ' 14' ' ' LEU . 67.7 tp -119.88 99.12 6.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.612 -0.722 . . . . 61.0 109.517 175.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.558 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.0 p -95.51 173.81 7.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.369 -0.378 . . . . 61.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.479 ' HG3' HD12 ' A' ' 49' ' ' LEU . 79.8 mtt180 -73.25 -12.09 60.74 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.332 -0.395 . . . . 61.0 110.757 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.15 -8.68 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 61.0 110.243 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -86.03 -17.32 35.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 61.0 110.315 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -57.9 137.2 83.52 Favored Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 116.032 -0.531 . . . . 61.0 110.909 176.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.41 155.05 64.56 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.006 2.471 . . . . 61.0 112.128 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.41 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 59.3 Cg_endo -69.66 156.78 62.71 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.717 2.278 . . . . 61.0 112.609 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.4 mt -74.26 -14.52 60.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.329 0.585 . . . . 61.0 109.92 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.8 -4.26 36.63 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.181 -0.918 . . . . 61.0 110.484 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.41 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 89.8 m -77.2 111.3 12.67 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.858 -0.61 . . . . 61.0 111.539 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -106.64 -38.62 6.08 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.502 -0.925 . . . . 61.0 108.502 170.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -75.14 84.93 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.405 -0.816 . . . . 61.0 109.594 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -75.07 108.4 7.78 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.497 -0.774 . . . . 61.0 112.074 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.29 161.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.307 -0.861 . . . . 61.0 109.739 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.8 70.79 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.308 0.38 . . . . 61.0 111.938 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -55.19 -47.1 75.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.199 0.523 . . . . 61.0 110.871 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' O ' HG22 ' A' ' 41' ' ' VAL . 91.6 mtt180 -76.97 -34.18 57.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.717 -0.674 . . . . 61.0 110.678 -176.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.28 -46.53 83.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 61.0 110.765 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.22 -44.81 92.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.699 -0.682 . . . . 61.0 111.281 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.03 86.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.408 -0.36 . . . . 61.0 111.274 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 37' ' ' ARG . 90.2 t -66.14 -52.15 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.401 . . . . 61.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.538 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.2 p -68.13 -38.95 80.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.201 -0.454 . . . . 61.0 111.384 -175.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.22 -29.25 70.03 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.75 0.309 . . . . 61.0 110.35 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.65 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.875 -0.602 . . . . 61.0 110.439 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.89 -43.0 96.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.18 0.514 . . . . 61.0 110.477 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.85 -48.58 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.541 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.425 ' HB2' HG21 ' A' ' 12' ' ' VAL . 53.0 m-70 -77.34 -3.89 42.34 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.989 0.366 . . . . 61.0 111.989 -176.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.21 23.69 53.98 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.387 -0.911 . . . . 61.0 112.72 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.479 HD12 ' HG3' ' A' ' 22' ' ' ARG . 52.1 tp -75.9 -46.15 31.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.372 0.606 . . . . 61.0 109.474 177.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 35.0 pt -132.9 172.73 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.959 -1.019 . . . . 61.0 109.218 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 5.0 t -98.49 157.31 16.3 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.922 0.391 . . . . 61.0 110.61 177.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 37.4 tt0 -58.66 -46.11 87.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.99 -0.55 . . . . 61.0 110.675 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -31.94 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.746 -0.661 . . . . 61.0 111.013 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 12.2 tp10 -59.52 -48.24 82.4 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.499 -0.556 . . . . 61.0 109.499 176.113 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.99 76.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.594 -0.73 . . . . 61.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.553 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 75.0 mt -58.22 -44.45 88.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.119 -0.491 . . . . 61.0 111.111 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.33 -54.57 16.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.371 . . . . 61.0 111.84 -178.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 12.3 ptp180 -73.08 -21.65 60.73 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.147 0.425 . . . . 61.0 112.147 -171.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.424 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 47.6 m-85 -110.21 4.08 20.65 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.589 -0.444 . . . . 61.0 111.86 -177.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 t 61.65 37.46 15.99 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.311 0.577 . . . . 61.0 110.437 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 71.2 mt -96.58 144.85 26.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.862 -0.608 . . . . 61.0 110.414 -177.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.3 m -99.86 165.39 11.58 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.979 -0.555 . . . . 61.0 109.803 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -54.23 -49.57 69.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 61.0 111.23 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.0 -25.97 67.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 61.0 111.272 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.39 -56.23 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.505 -0.554 . . . . 61.0 109.505 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -62.39 -30.8 71.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.748 -0.66 . . . . 61.0 110.504 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.42 90.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.092 -0.504 . . . . 61.0 110.439 175.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -47.16 78.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 61.0 110.41 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 17.4 m0 -54.8 -54.19 45.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.768 -0.651 . . . . 61.0 111.554 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.538 ' HA ' HG21 ' A' ' 42' ' ' VAL . 13.6 ptm180 -67.99 -25.81 65.6 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.968 -0.293 . . . . 61.0 111.397 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.4 m -73.81 -38.08 64.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 61.0 110.585 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.99 -19.16 57.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 61.0 111.593 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.1 t -100.76 -52.97 8.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.788 0.292 . . . . 61.0 111.788 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.57 -41.69 54.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.772 0.32 . . . . 61.0 111.201 -175.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -90.73 17.55 7.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.988 0.423 . . . . 61.0 110.607 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -71.01 -27.48 63.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.829 -0.623 . . . . 61.0 109.928 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.34 80.76 0.32 Allowed Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.769 -0.932 . . . . 61.0 110.769 175.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -102.09 -25.57 13.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.892 0.377 . . . . 61.0 111.076 -174.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -71.22 -42.06 69.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.04 -0.527 . . . . 61.0 111.559 -172.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.49 124.27 44.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.419 -0.355 . . . . 61.0 110.88 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.7 mp -82.96 63.37 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.323 0.583 . . . . 61.0 110.242 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.585 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 83.0 tttt -64.07 149.74 46.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.189 -0.914 . . . . 61.0 109.046 174.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.402 ' HA ' HD13 ' A' ' 86' ' ' ILE . 9.4 p -52.22 -30.24 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 121.173 0.511 . . . . 61.0 111.868 -175.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.4 m -80.1 -12.46 59.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.885 -0.598 . . . . 61.0 111.297 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.585 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -88.03 -26.65 22.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 61.0 111.097 -178.294 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.409 HD11 ' O ' ' A' ' 82' ' ' LYS . 4.0 mp -66.16 -37.92 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.596 -0.52 . . . . 61.0 109.596 177.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -51.62 -44.19 62.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.501 -0.772 . . . . 61.0 110.156 170.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -65.38 -46.5 79.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.121 -0.945 . . . . 61.0 110.399 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -63.56 -40.74 97.76 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.482 -0.327 . . . . 61.0 110.934 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -65.25 -35.43 81.02 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.309 -0.405 . . . . 61.0 111.601 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -100.55 12.95 36.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.454 0.645 . . . . 61.0 110.57 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 tp -92.43 -49.87 5.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.403 -0.817 . . . . 61.0 109.59 173.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -64.92 110.62 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.919 -1.037 . . . . 61.0 111.378 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -72.32 167.07 21.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.798 -0.637 . . . . 61.0 110.062 175.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.051 -0.976 . . . . 61.0 109.262 174.081 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttt . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.877 0.37 . . . . 61.0 110.691 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -155.34 151.91 28.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 61.0 109.518 -176.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 tt -58.75 -66.27 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.408 0.442 . . . . 61.0 110.781 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -89.75 107.24 18.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.293 0.568 . . . . 61.0 110.968 -176.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -139.33 123.59 18.06 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.826 -0.805 . . . . 61.0 108.826 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.0 t -68.46 104.74 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.212 0.529 . . . . 61.0 110.496 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -92.43 108.56 20.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.538 -0.756 . . . . 61.0 109.816 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.96 161.86 17.66 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.053 -0.594 . . . . 61.0 112.374 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 49' ' ' LEU . 3.3 Cg_exo -76.08 178.73 7.1 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.976 2.451 . . . . 61.0 111.935 177.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -78.17 -24.66 47.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.5 -0.318 . . . . 61.0 111.822 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.547 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.4 pt20 -150.7 148.07 28.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.07 -0.252 . . . . 61.0 111.135 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 m -129.81 158.56 42.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.515 . . . . 61.0 110.06 174.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -102.03 138.31 39.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.392 -0.367 . . . . 61.0 110.588 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -85.61 151.7 56.09 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.699 -0.482 . . . . 61.0 109.699 176.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.11 -16.78 49.9 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.51 2.14 . . . . 61.0 110.809 174.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.78 -22.02 50.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.812 -1.086 . . . . 61.0 110.942 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.78 -1.15 34.0 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.59 -0.814 . . . . 61.0 111.79 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.64 164.86 20.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.612 0.244 . . . . 61.0 111.111 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.2 t -115.2 130.25 70.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 110.216 -0.291 . . . . 61.0 110.216 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.556 ' HB2' HD23 ' A' ' 14' ' ' LEU . 59.8 tp -122.83 104.12 9.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.329 -0.396 . . . . 61.0 110.239 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.547 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 92.0 p -98.79 171.34 8.15 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.85 -0.426 . . . . 61.0 109.85 177.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' NH1' HG21 ' A' ' 50' ' ' ILE . 72.8 mtp85 -69.84 -4.82 21.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.049 0.452 . . . . 61.0 110.716 178.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.55 -2.35 28.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 61.0 110.596 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.42 ' HB2' HD11 ' A' ' 20' ' ' LEU . 7.1 m-20 -89.94 -12.1 39.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.482 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.2 mt -57.74 131.31 82.51 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.778 -0.647 . . . . 61.0 110.596 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.58 161.93 7.05 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.785 2.99 . . . . 61.0 112.824 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.48 ' HG2' ' HB ' ' A' ' 30' ' ' THR . 11.1 Cg_endo -54.09 134.05 58.22 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.048 2.499 . . . . 61.0 112.296 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 58' ' ' ARG . 53.5 mt -61.25 -34.03 74.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.589 . . . . 61.0 111.427 -176.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.684 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 1.1 m-20 -101.06 32.19 3.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.469 -0.332 . . . . 61.0 111.452 -176.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.48 ' HB ' ' HG2' ' A' ' 27' ' ' PRO . 10.0 t -67.41 -44.45 78.77 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.17 -0.212 . . . . 61.0 111.466 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.684 ' NH1' ' HA ' ' A' ' 29' ' ' ASP . 9.4 mpt_? 65.75 -69.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.296 0.638 . . . . 61.0 112.113 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -77.72 82.14 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.478 0.656 . . . . 61.0 109.964 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -65.76 129.71 40.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.741 -1.118 . . . . 61.0 112.769 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.2 m -103.77 164.28 3.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.599 . . . . 61.0 109.533 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.57 -41.53 73.46 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.503 0.557 . . . . 61.0 112.503 -173.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 m -64.17 -44.8 90.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.363 -0.381 . . . . 61.0 111.606 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -70.72 -35.62 72.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.608 -0.269 . . . . 61.0 110.52 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.12 -44.56 97.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.999 0.428 . . . . 61.0 110.399 174.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.05 88.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.417 -0.81 . . . . 61.0 111.141 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.69 -44.22 85.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.47 -0.332 . . . . 61.0 111.315 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.4 t -67.11 -48.86 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.414 -0.357 . . . . 61.0 111.392 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.4 p -66.45 -37.13 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.718 -0.393 . . . . 61.0 110.945 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.39 -34.14 77.49 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 110.242 -0.281 . . . . 61.0 110.242 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.67 -46.42 89.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 61.0 110.691 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.51 HG23 HG13 ' A' ' 50' ' ' ILE . 58.2 t -74.24 -34.36 37.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.569 -0.287 . . . . 61.0 111.259 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.59 -42.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.496 0.189 . . . . 61.0 111.2 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -80.06 -11.61 59.75 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.962 -0.295 . . . . 61.0 111.036 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.68 21.17 34.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 61.0 113.027 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 50.5 tp -71.95 -42.15 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.543 . . . . 61.0 110.141 178.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.51 HG13 HG23 ' A' ' 45' ' ' VAL . 43.4 pt -138.29 166.61 23.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.33 -0.85 . . . . 61.0 109.925 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.539 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 1.8 t -91.07 159.16 16.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.129 0.49 . . . . 61.0 110.222 174.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 23.9 tt0 -58.87 -43.76 90.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.78 -0.645 . . . . 61.0 110.175 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -29.41 69.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 61.0 110.764 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.539 ' HB3' ' O ' ' A' ' 51' ' ' THR . 7.6 tp10 -58.73 -47.84 83.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.328 -0.619 . . . . 61.0 109.328 175.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.95 -48.77 62.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.42 -0.809 . . . . 61.0 111.173 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 85.3 mt -57.4 -40.11 77.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.063 -0.517 . . . . 61.0 111.701 -177.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -55.22 13.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.719 0.266 . . . . 61.0 111.719 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.519 ' HB2' HD21 ' A' ' 28' ' ' LEU . 12.6 ptp180 -66.34 -29.12 69.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.209 0.448 . . . . 61.0 112.209 -173.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -101.63 -1.08 33.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.908 -0.317 . . . . 61.0 111.6 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 t 58.1 39.65 25.93 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.313 0.577 . . . . 61.0 110.439 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.53 HD21 ' HG2' ' A' ' 65' ' ' GLU . 97.6 mt -94.15 168.63 10.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 61.0 111.225 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 m -112.6 159.19 19.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.313 -0.858 . . . . 61.0 109.608 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -57.15 -41.59 79.42 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.08 -0.509 . . . . 61.0 111.365 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.585 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.7 pt-20 -57.06 -38.27 73.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.19 -0.459 . . . . 61.0 111.586 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.53 ' HG2' HD21 ' A' ' 61' ' ' LEU . 14.4 tp10 -65.22 -54.65 26.26 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.544 -0.539 . . . . 61.0 109.544 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -60.95 -38.36 85.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.767 -0.652 . . . . 61.0 110.79 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.475 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . . . -56.9 -38.23 72.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 61.0 110.988 176.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 97.4 mt -67.94 -44.56 76.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.322 -0.399 . . . . 61.0 110.285 179.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.6 m0 -54.53 -51.17 65.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.799 -0.637 . . . . 61.0 110.623 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 67' ' ' ALA . 8.8 ptt180 -68.5 -31.05 70.05 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.017 -0.273 . . . . 61.0 111.499 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.0 m -65.46 -32.33 73.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.939 0.4 . . . . 61.0 110.625 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -87.3 -47.88 8.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.289 -0.414 . . . . 61.0 112.006 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.0 t -77.14 -46.14 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.378 0.51 . . . . 61.0 112.378 -173.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.79 -44.77 69.41 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.74 -0.384 . . . . 61.0 110.902 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.74 11.08 7.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 61.0 111.193 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 37.9 t-80 -72.69 102.87 3.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.085 -0.507 . . . . 61.0 109.64 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.55 39.91 28.79 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.861 -0.685 . . . . 61.0 112.087 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.451 ' HA ' ' OH ' ' A' ' 89' ' ' TYR . 10.4 pt-20 -67.61 -17.69 64.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.914 0.388 . . . . 61.0 111.137 -177.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -79.03 -10.84 59.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 61.0 111.634 -177.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 85' ' ' MET . . . -108.39 95.81 5.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.761 0.315 . . . . 61.0 110.821 -178.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 mp -98.11 87.78 4.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.993 0.425 . . . . 61.0 111.287 -177.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 86' ' ' ILE . 21.0 tptm -87.8 161.44 17.56 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.308 -0.997 . . . . 61.0 108.308 171.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -46.92 -40.4 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 112.74 0.644 . . . . 61.0 112.74 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.3 m -81.39 -17.26 49.59 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.22 0.533 . . . . 61.0 111.407 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.532 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 42.9 tpp -72.7 -24.78 61.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.243 -0.435 . . . . 61.0 110.846 -175.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 82' ' ' LYS . 4.1 mp -62.36 -23.88 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.412 . . . . 61.0 110.785 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.96 -42.86 85.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 61.0 111.227 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 85' ' ' MET . 18.6 ptpt -71.13 -13.16 61.86 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.937 -0.305 . . . . 61.0 110.933 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.451 ' OH ' ' HA ' ' A' ' 78' ' ' GLU . 26.0 m-85 -97.59 -37.91 9.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.494 -0.321 . . . . 61.0 111.058 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.471 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 3.7 mmp_? -88.22 -29.2 20.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.468 -0.333 . . . . 61.0 111.89 -175.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -85.12 -10.92 56.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.621 0.724 . . . . 61.0 109.342 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.79 119.37 16.94 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.867 -1.06 . . . . 61.0 110.514 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -99.04 128.29 45.15 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.791 -0.641 . . . . 61.0 109.32 171.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -77.85 138.46 38.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.959 -0.564 . . . . 61.0 111.832 -169.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 65.2 t60 . . . . . 0 C--O 1.246 0.877 0 CA-C-N 115.506 -0.77 . . . . 61.0 109.207 173.406 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.444 0.164 . . . . 61.0 111.383 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -95.27 115.41 27.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.925 0.393 . . . . 61.0 110.539 -176.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 3' ' ' LEU . 4.2 mm? -82.73 58.53 4.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.525 0.679 . . . . 61.0 111.133 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -84.19 -31.68 24.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.447 -0.797 . . . . 61.0 109.043 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -85.37 94.12 8.89 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.165 0.984 . . . . 61.0 110.585 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.73 87.57 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 CA-C-N 113.52 -1.673 . . . . 61.0 109.928 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -97.19 -176.55 3.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.705 -0.68 . . . . 61.0 110.109 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 146.66 -113.76 0.68 Allowed Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.328 -0.709 . . . . 61.0 111.328 -176.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.39 94.34 0.76 Allowed 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.223 1.949 . . . . 61.0 111.773 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.26 -22.97 35.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.39 -0.368 . . . . 61.0 110.683 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.6 pt20 -141.63 142.6 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 61.0 110.825 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.45 148.85 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.968 -0.56 . . . . 61.0 110.112 174.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.0 m -89.56 130.34 35.89 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.175 0.512 . . . . 61.0 110.886 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.602 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -78.84 143.93 63.23 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.706 -0.849 . . . . 61.0 108.706 172.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.612 ' HD3' ' CE1' ' A' ' 47' ' ' HIS . 55.5 Cg_endo -73.57 -4.82 16.07 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.12 1.88 . . . . 61.0 109.284 173.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.59 -10.07 59.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 113.806 -1.543 . . . . 61.0 108.854 173.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.78 47.99 5.39 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.665 -0.698 . . . . 61.0 111.873 -177.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -143.04 166.33 24.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.922 -0.399 . . . . 61.0 109.922 -175.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.1 t -111.57 127.81 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.683 0.278 . . . . 61.0 110.683 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.602 ' HB2' HD23 ' A' ' 14' ' ' LEU . 57.1 tp -116.73 108.47 15.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.766 -0.457 . . . . 61.0 109.766 177.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.457 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 23.0 p -99.56 163.26 12.58 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.92 -0.582 . . . . 61.0 110.614 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.42 ' HG3' HD11 ' A' ' 49' ' ' LEU . 91.9 mtt180 -65.21 -27.12 68.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.352 -0.385 . . . . 61.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.64 -8.1 59.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.195 -0.457 . . . . 61.0 110.893 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.0 -9.03 41.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.11 0.481 . . . . 61.0 110.361 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.47 153.19 61.82 Favored Pre-proline 0 C--O 1.236 0.374 0 CA-C-N 115.708 -0.678 . . . . 61.0 110.891 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.1 148.21 74.83 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.536 2.157 . . . . 61.0 111.814 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.474 ' HG2' ' HG1' ' A' ' 30' ' ' THR . 40.0 Cg_endo -65.24 158.59 51.49 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.879 2.386 . . . . 61.0 112.717 -176.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.11 -10.38 59.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.259 0.552 . . . . 61.0 110.756 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.17 -3.57 46.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.607 0.718 . . . . 61.0 110.149 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.474 ' HG1' ' HG2' ' A' ' 27' ' ' PRO . 85.8 m -86.66 92.43 8.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.801 -0.636 . . . . 61.0 112.223 -176.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -99.48 -24.05 14.9 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.541 -1.281 . . . . 61.0 107.541 161.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' H ' ' HG2' ' A' ' 32' ' ' ARG . 14.7 ptt180 -72.19 70.86 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 113.867 -1.515 . . . . 61.0 109.731 168.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.95 109.01 9.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.258 -0.883 . . . . 61.0 111.893 -175.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.3 m -88.82 163.18 2.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.697 -0.683 . . . . 61.0 109.918 172.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.05 71.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.451 0.537 . . . . 61.0 112.451 -173.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 m -66.71 -36.33 82.23 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.957 0.354 . . . . 61.0 111.957 -176.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -69.89 -35.97 75.06 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.067 -0.253 . . . . 61.0 110.472 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -65.17 -42.68 93.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.99 0.424 . . . . 61.0 110.106 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.65 -39.2 93.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 61.0 111.265 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.44 98.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.75 0.309 . . . . 61.0 111.061 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.1 t -67.4 -46.73 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 61.0 111.388 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.533 HG22 ' HA ' ' A' ' 70' ' ' ARG . 14.9 p -65.51 -39.06 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.899 -0.32 . . . . 61.0 111.085 -177.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.478 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.1 mttt -68.83 -32.99 73.08 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 109.941 -0.392 . . . . 61.0 109.941 177.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.76 96.24 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 61.0 110.922 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.1 t -69.35 -42.48 81.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.251 -0.431 . . . . 61.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.509 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 74.3 mt -71.69 -29.12 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.962 -0.563 . . . . 61.0 111.822 -176.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.612 ' CE1' ' HD3' ' A' ' 15' ' ' PRO . 71.7 m-70 -89.36 -5.01 57.84 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.966 -0.459 . . . . 61.0 111.467 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.07 27.35 37.56 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.464 -0.874 . . . . 61.0 112.919 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.499 HD23 ' HG ' ' A' ' 20' ' ' LEU . 47.5 tp -80.11 -47.49 14.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.632 0.73 . . . . 61.0 109.296 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.7 pt -130.2 -179.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.728 -1.124 . . . . 61.0 108.575 175.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.556 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 2.8 t -106.32 158.11 17.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.03 0.443 . . . . 61.0 110.845 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.0 tt0 -62.9 -38.55 91.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.788 -0.642 . . . . 61.0 110.41 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -63.82 -37.74 88.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.309 -0.859 . . . . 61.0 109.155 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.556 ' HB3' ' O ' ' A' ' 51' ' ' THR . 6.8 tp10 -59.42 -49.82 76.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.378 -0.828 . . . . 61.0 110.5 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.41 92.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 61.0 111.274 -176.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 21.6 mt -71.04 -31.87 68.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.185 -0.461 . . . . 61.0 110.94 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -80.77 -50.16 10.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.399 -0.364 . . . . 61.0 111.403 -175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 10.1 ptm85 -66.2 -38.25 87.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.504 -0.316 . . . . 61.0 111.823 -175.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -97.09 -0.89 46.36 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.068 -0.253 . . . . 61.0 111.251 -177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.1 t 61.17 34.78 18.74 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.112 -0.495 . . . . 61.0 110.574 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 95.8 mt -80.4 -177.74 6.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.726 -0.67 . . . . 61.0 111.414 -176.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -124.53 156.93 36.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.639 -0.709 . . . . 61.0 110.064 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -57.22 -44.85 84.14 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.603 -0.726 . . . . 61.0 110.7 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 7.7 pt-20 -62.26 -36.98 83.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.469 -0.787 . . . . 61.0 111.702 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -66.92 -54.89 17.6 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.824 -0.436 . . . . 61.0 109.824 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -61.93 -31.43 71.74 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.433 -0.349 . . . . 61.0 110.769 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.52 83.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.902 0.382 . . . . 61.0 110.513 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 93.6 mt -68.71 -42.56 77.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 61.0 110.146 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -54.3 -52.55 61.13 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.028 -0.533 . . . . 61.0 110.664 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.533 ' HA ' HG22 ' A' ' 42' ' ' VAL . 6.2 ptm180 -69.67 -24.53 63.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.868 -0.605 . . . . 61.0 111.255 -174.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 49.3 m -80.99 -29.39 35.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.871 0.367 . . . . 61.0 110.83 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.12 -16.92 44.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.434 -0.348 . . . . 61.0 111.454 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t -116.52 -62.65 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.732 0.301 . . . . 61.0 111.785 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.547 ' O ' ' HD3' ' A' ' 88' ' ' LYS . . . -72.53 -38.56 67.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.785 0.326 . . . . 61.0 111.415 -175.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HA ' ' HE1' ' A' ' 89' ' ' TYR . . . -81.74 -8.18 59.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.861 0.362 . . . . 61.0 111.05 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -83.84 78.47 9.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.247 0.546 . . . . 61.0 110.533 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.6 26.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 110.921 -0.871 . . . . 61.0 110.921 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.39 9.36 1.74 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.808 -0.696 . . . . 61.0 112.695 -172.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -92.67 -54.31 3.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.95 0.405 . . . . 61.0 110.352 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -148.07 107.71 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.066 -0.516 . . . . 61.0 110.051 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.86 90.56 1.12 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.433 0.635 . . . . 61.0 111.213 -176.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.548 ' O ' HD13 ' A' ' 86' ' ' ILE . 40.6 ttmt -68.9 153.84 43.08 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.024 -0.989 . . . . 61.0 108.95 171.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.509 ' HA ' HD12 ' A' ' 86' ' ' ILE . 14.6 p -51.83 -33.62 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 112.147 0.425 . . . . 61.0 112.147 -175.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.4 m -73.73 -12.72 60.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.398 0.618 . . . . 61.0 111.376 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.429 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 65.4 mtt -94.61 -23.44 17.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.075 -0.511 . . . . 61.0 111.523 -176.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 82' ' ' LYS . 4.0 mp -67.64 -36.84 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.908 -0.317 . . . . 61.0 110.757 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -63.47 -28.43 69.96 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 121.071 -0.251 . . . . 61.0 110.553 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.547 ' HD3' ' O ' ' A' ' 74' ' ' ALA . 95.5 mttt -57.59 -46.84 83.53 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.397 0.618 . . . . 61.0 109.695 174.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.54 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 38.2 m-85 -81.77 -15.56 53.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.221 -0.899 . . . . 61.0 111.489 -175.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -90.77 -16.26 28.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.608 0.242 . . . . 61.0 111.514 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.509 ' OE1' ' HA ' ' A' ' 46' ' ' ILE . 14.2 tt0 -109.87 -4.26 16.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.369 0.604 . . . . 61.0 110.059 178.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 4.9 tt -83.67 109.46 17.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.796 -0.638 . . . . 61.0 109.87 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -111.99 129.25 56.26 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.848 -0.615 . . . . 61.0 109.721 175.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 66.42 108.94 0.04 OUTLIER 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.629 0.728 . . . . 61.0 112.395 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.0 p80 . . . . . 0 C--O 1.245 0.817 0 N-CA-C 109.076 -0.713 . . . . 61.0 109.076 170.005 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.683 0.278 . . . . 61.0 110.566 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -144.53 113.13 6.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.211 -0.45 . . . . 61.0 110.857 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.5 tp -87.15 -39.91 15.09 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.976 -0.75 . . . . 61.0 108.976 172.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -152.91 101.47 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.193 -0.912 . . . . 61.0 109.888 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.44 ' HD3' ' OD2' ' A' ' 7' ' ' ASP . 11.6 ttm180 -78.17 136.41 37.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.925 -0.58 . . . . 61.0 110.866 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 p -134.69 81.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 122.121 0.963 . . . . 61.0 109.824 171.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.44 ' OD2' ' HD3' ' A' ' 5' ' ' ARG . 36.9 p30 -97.3 -8.46 29.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.293 -0.867 . . . . 61.0 110.718 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.8 112.84 4.54 Favored Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 110.968 -0.853 . . . . 61.0 110.968 174.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.53 142.5 84.74 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.758 2.306 . . . . 61.0 111.973 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -86.58 -26.97 24.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.045 0.45 . . . . 61.0 110.108 177.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.529 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 4.0 pt20 -150.75 141.25 22.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.645 -0.707 . . . . 61.0 110.911 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.401 HG22 ' HB3' ' A' ' 20' ' ' LEU . 17.4 m -128.35 170.97 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.714 -0.675 . . . . 61.0 109.634 174.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 m -109.61 134.94 51.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.743 0.306 . . . . 61.0 111.164 -176.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.533 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.3 mm? -78.61 154.63 78.7 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.437 -0.579 . . . . 61.0 109.437 174.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.553 ' HB2' HD13 ' A' ' 92' ' ' LEU . 40.5 Cg_endo -67.69 -9.98 27.27 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.406 2.071 . . . . 61.0 112.257 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -88.99 -25.65 21.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.796 -0.638 . . . . 61.0 110.251 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.94 -8.87 9.14 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.787 -0.642 . . . . 61.0 112.093 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.511 ' HB ' HD21 ' A' ' 14' ' ' LEU . 1.3 m -73.77 164.18 26.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.638 0.256 . . . . 61.0 111.037 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.0 t -108.69 137.25 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 110.017 -0.364 . . . . 61.0 110.017 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.533 ' HB2' HD23 ' A' ' 14' ' ' LEU . 66.9 tp -122.3 103.5 8.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.034 -0.358 . . . . 61.0 110.034 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.529 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 99.0 p -96.94 168.97 10.15 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.85 -0.426 . . . . 61.0 109.85 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.545 ' NH1' HG23 ' A' ' 50' ' ' ILE . 50.9 mtp85 -72.6 -5.78 39.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.072 0.463 . . . . 61.0 110.387 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.35 -15.37 38.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 61.0 109.877 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -82.2 -22.17 36.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 61.0 110.315 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -58.48 128.73 83.4 Favored Pre-proline 0 C--O 1.233 0.218 0 CA-C-N 115.801 -0.636 . . . . 61.0 110.7 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.67 154.97 56.55 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.096 2.53 . . . . 61.0 112.433 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.414 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 31.7 Cg_endo -63.72 164.12 22.4 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.836 2.357 . . . . 61.0 112.929 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.2 mt -83.62 -9.12 59.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.838 -0.619 . . . . 61.0 111.087 -174.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.91 0.46 57.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.124 -0.489 . . . . 61.0 110.969 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.414 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 87.6 m -78.82 109.66 13.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.474 -0.33 . . . . 61.0 111.301 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -105.31 -28.78 10.7 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.808 -0.442 . . . . 61.0 109.808 170.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -76.18 76.83 3.0 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.994 -0.743 . . . . 61.0 108.994 172.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -72.47 107.23 4.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.073 -0.967 . . . . 61.0 111.85 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.8 m -89.75 159.96 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.571 -0.74 . . . . 61.0 109.575 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.98 -40.97 70.62 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.349 0.406 . . . . 61.0 111.987 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.0 m -63.98 -35.44 80.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 61.0 111.585 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.447 ' O ' HG21 ' A' ' 41' ' ' VAL . 92.8 mtt180 -80.76 -34.97 33.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.607 0.241 . . . . 61.0 110.573 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.86 -43.52 98.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.028 0.442 . . . . 61.0 110.156 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.465 ' HB3' ' HE3' ' A' ' 43' ' ' LYS . . . -58.66 -49.66 76.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.376 -0.829 . . . . 61.0 111.269 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.54 73.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.685 0.279 . . . . 61.0 111.475 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 37' ' ' ARG . 84.2 t -70.18 -53.41 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 61.0 111.292 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.97 -39.08 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.337 -0.392 . . . . 61.0 111.12 -176.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HE3' ' HB3' ' A' ' 39' ' ' ALA . 98.4 mttt -66.59 -31.05 71.5 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.704 0.287 . . . . 61.0 110.396 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.52 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 61.0 110.3 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 65.2 t -62.97 -45.23 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.934 -0.575 . . . . 61.0 110.46 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.33 -29.84 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 115.632 -0.713 . . . . 61.0 112.026 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.459 ' HE1' ' HB3' ' A' ' 93' ' ' HIS . 87.2 m-70 -98.48 -7.53 28.3 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.916 -0.314 . . . . 61.0 111.77 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.9 10.05 67.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.514 -0.85 . . . . 61.0 112.812 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.3 tp -63.49 -45.5 90.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.689 0.757 . . . . 61.0 108.987 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.545 HG23 ' NH1' ' A' ' 22' ' ' ARG . 29.9 pt -132.79 171.03 18.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.687 -1.142 . . . . 61.0 108.085 172.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 54' ' ' GLU . 5.1 t -104.78 157.37 17.25 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.503 -0.479 . . . . 61.0 110.027 176.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.3 tt0 -56.58 -40.18 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.396 0.617 . . . . 61.0 110.245 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -64.67 -32.37 74.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.204 -0.907 . . . . 61.0 109.835 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 60.9 tt0 -73.77 -37.71 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.881 -0.6 . . . . 61.0 110.155 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.77 -46.28 79.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.888 0.375 . . . . 61.0 110.346 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 52.0 mt -62.49 -34.79 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 61.0 109.893 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.8 -60.44 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.18 -0.918 . . . . 61.0 111.617 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 9.4 ptm180 -69.42 -28.66 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.86 0.689 . . . . 61.0 112.86 -172.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -107.57 5.91 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.57 -0.452 . . . . 61.0 111.972 -176.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.7 m 53.89 51.67 14.37 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.434 0.635 . . . . 61.0 110.473 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.519 HD22 ' HG2' ' A' ' 65' ' ' GLU . 97.5 mt -106.73 150.96 25.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.562 -0.745 . . . . 61.0 111.078 -176.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' HG2' ' A' ' 64' ' ' GLU . 31.6 m -104.76 162.43 13.31 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.359 -0.837 . . . . 61.0 109.098 172.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.99 -34.67 73.63 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.426 -0.352 . . . . 61.0 110.994 -177.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 11.1 pt-20 -53.37 -32.56 49.93 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.033 -0.531 . . . . 61.0 111.409 176.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.519 ' HG2' HD22 ' A' ' 61' ' ' LEU . 20.0 tp10 -82.81 -57.21 3.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.242 0.544 . . . . 61.0 109.829 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.21 -34.35 73.52 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.649 -0.705 . . . . 61.0 111.511 -174.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.89 90.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.539 -0.3 . . . . 61.0 110.701 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.26 -40.96 81.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 61.0 110.25 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.416 ' NE1' ' HG3' ' A' ' 65' ' ' GLU . 25.1 m0 -54.95 -50.7 68.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.099 -0.5 . . . . 61.0 110.817 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -72.15 -25.07 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.997 -0.281 . . . . 61.0 111.756 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.511 ' O ' ' HB1' ' A' ' 75' ' ' ALA . 39.8 m -75.39 -26.35 58.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.944 0.402 . . . . 61.0 110.435 177.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.32 -48.19 7.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.348 -0.387 . . . . 61.0 111.62 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.8 t -80.56 -51.42 15.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.484 -0.326 . . . . 61.0 111.769 -174.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.06 -2.48 37.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.169 0.509 . . . . 61.0 111.36 -175.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 71' ' ' SER . . . -126.02 20.46 7.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.008 -0.542 . . . . 61.0 110.11 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -71.27 110.48 5.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.835 -0.62 . . . . 61.0 109.974 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.25 92.94 0.18 Allowed Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.606 -0.807 . . . . 61.0 112.402 -178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.23 -16.09 58.16 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.933 -0.765 . . . . 61.0 108.933 173.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -88.61 -60.29 2.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.67 -1.15 . . . . 61.0 110.476 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -167.95 159.18 11.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.406 -0.361 . . . . 61.0 110.876 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.1 mp -133.69 66.54 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.291 0.567 . . . . 61.0 109.645 174.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.851 ' HB3' ' HB2' ' A' ' 85' ' ' MET . 80.6 tttt -67.67 141.65 56.62 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.826 -0.805 . . . . 61.0 108.826 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.526 ' HA ' HD11 ' A' ' 86' ' ' ILE . 9.8 p -51.19 -39.79 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.144 0.424 . . . . 61.0 112.144 -172.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.2 m -78.68 -30.18 46.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.556 0.693 . . . . 61.0 110.924 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.851 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . 8.7 ttt -67.63 -35.04 78.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.153 -0.93 . . . . 61.0 110.554 -175.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 83' ' ' VAL . 3.2 mt -61.29 -41.79 91.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.257 -0.428 . . . . 61.0 110.839 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -59.17 -44.41 92.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.171 0.51 . . . . 61.0 110.032 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -90.81 16.69 8.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.927 -0.579 . . . . 61.0 111.258 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -92.88 -54.78 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.626 -0.879 . . . . 61.0 108.626 162.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -69.9 -25.01 63.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.726 -1.124 . . . . 61.0 110.935 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -125.75 24.69 7.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.422 -0.354 . . . . 61.0 110.49 -175.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.553 HD13 ' HB2' ' A' ' 15' ' ' PRO . 1.6 tt -54.03 -59.71 4.29 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.95 -0.568 . . . . 61.0 109.924 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.459 ' HB3' ' HE1' ' A' ' 47' ' ' HIS . 8.4 t60 -106.7 84.89 2.07 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.631 -0.878 . . . . 61.0 108.631 174.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -91.98 -20.55 21.25 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.666 -0.697 . . . . 61.0 110.462 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.7 p80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 117.787 -1.101 . . . . 61.0 110.359 178.886 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 110.422 -0.214 . . . . 61.0 110.422 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 66.33 -79.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.768 0.668 . . . . 61.0 109.865 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.2 mp -129.14 -92.62 0.45 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.995 -0.743 . . . . 61.0 108.995 168.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? 65.17 -77.5 0.04 OUTLIER 'General case' 0 C--O 1.231 0.111 0 O-C-N 123.843 0.715 . . . . 61.0 110.03 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 170.61 131.19 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 124.118 0.886 . . . . 61.0 109.245 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -118.25 125.44 74.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.482 -0.562 . . . . 61.0 109.482 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.31 -39.27 74.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 61.0 111.693 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.81 -175.92 14.17 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.598 -0.81 . . . . 61.0 111.851 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.88 167.52 19.41 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.611 2.207 . . . . 61.0 111.808 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -75.75 -27.3 58.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.516 -0.311 . . . . 61.0 111.025 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.58 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.8 pt20 -154.92 146.58 23.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.908 0.385 . . . . 61.0 111.581 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.16 168.68 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.689 -0.687 . . . . 61.0 110.695 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -105.86 139.33 40.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.26 -0.427 . . . . 61.0 110.851 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD11 ' HD3' ' A' ' 43' ' ' LYS . 3.3 mm? -89.29 146.92 37.09 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.14 -0.482 . . . . 61.0 109.941 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.21 -11.36 30.95 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.641 2.227 . . . . 61.0 110.542 172.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.1 -8.49 59.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.941 -1.027 . . . . 61.0 109.914 177.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.3 41.61 7.36 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.837 -0.619 . . . . 61.0 111.994 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -132.02 167.46 19.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.699 -0.482 . . . . 61.0 109.699 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.2 t -113.22 131.6 64.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.191 -0.3 . . . . 61.0 110.191 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.578 ' HB2' HD23 ' A' ' 14' ' ' LEU . 44.0 tp -123.23 103.29 8.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.889 0.376 . . . . 61.0 110.36 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.58 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 3.2 m -91.73 165.47 13.27 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.982 -0.554 . . . . 61.0 109.576 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -64.8 -16.59 63.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.115 0.483 . . . . 61.0 110.614 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.65 -4.64 37.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.823 -0.626 . . . . 61.0 111.282 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -93.24 -0.36 56.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.254 0.549 . . . . 61.0 110.409 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.53 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 77.2 mt -67.7 156.74 88.31 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.467 -0.788 . . . . 61.0 110.561 177.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.75 155.66 36.5 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.784 2.322 . . . . 61.0 111.735 176.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.593 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 18.8 Cg_endo -57.36 147.03 79.94 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.862 2.375 . . . . 61.0 112.508 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD22 ' HB2' ' A' ' 58' ' ' ARG . 94.0 mt -65.29 -24.71 67.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 61.0 111.512 -176.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.609 ' HA ' ' NH2' ' A' ' 31' ' ' ARG . 28.5 t70 -93.61 25.58 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.542 0.687 . . . . 61.0 110.738 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.593 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 88.7 m -81.49 104.56 12.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.17 -0.468 . . . . 61.0 109.901 173.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.609 ' NH2' ' HA ' ' A' ' 29' ' ' ASP . 2.1 tpp180 -110.19 161.18 15.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.033 -0.728 . . . . 61.0 109.033 175.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 4.1 tmt_? 75.63 -53.58 0.64 Allowed 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.667 0.605 . . . . 61.0 109.655 -177.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.401 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 86.8 m95 74.43 156.73 0.18 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 122.058 0.932 . . . . 61.0 113.275 172.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 32.3 m -134.63 164.71 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.621 -1.172 . . . . 61.0 108.661 173.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.59 82.31 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.278 0.473 . . . . 61.0 112.278 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -59.87 -40.34 88.29 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.979 0.362 . . . . 61.0 111.979 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -74.63 -36.27 62.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 61.0 110.354 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 34' ' ' VAL . 98.7 mttt -62.48 -43.56 98.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.97 -0.559 . . . . 61.0 110.187 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.63 -40.94 84.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.554 -0.748 . . . . 61.0 111.1 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.18 90.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 61.0 111.024 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.8 t -71.4 -47.54 58.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 61.0 111.191 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.552 HG23 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -68.12 -36.93 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.622 -0.263 . . . . 61.0 111.129 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.64 ' HD3' HD11 ' A' ' 14' ' ' LEU . 95.5 mttt -63.05 -37.21 86.29 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.091 -0.337 . . . . 61.0 110.091 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB3' HD22 ' A' ' 20' ' ' LEU . . . -59.03 -46.85 87.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 61.0 111.012 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.596 HG11 ' HG3' ' A' ' 52' ' ' GLU . 58.3 t -69.91 -43.87 79.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.514 -0.312 . . . . 61.0 111.354 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.21 -27.26 38.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.307 -0.406 . . . . 61.0 111.7 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -87.9 -7.95 56.46 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.73 -0.388 . . . . 61.0 111.175 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.93 9.98 61.83 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.62 -0.8 . . . . 61.0 112.756 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD22 ' HG ' ' A' ' 20' ' ' LEU . 49.5 tp -67.53 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.089 0.471 . . . . 61.0 110.371 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 31.6 pt -120.32 160.62 20.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.868 -0.606 . . . . 61.0 110.078 179.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 2.0 t -88.11 154.64 20.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.079 -0.51 . . . . 61.0 110.661 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.596 ' HG3' HG11 ' A' ' 45' ' ' VAL . 3.3 mt-10 -52.54 -42.96 64.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.851 -0.613 . . . . 61.0 110.871 176.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -64.1 -28.41 69.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.612 -0.722 . . . . 61.0 110.823 -177.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 51' ' ' THR . 7.1 tp10 -68.18 -52.56 33.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 61.0 109.658 175.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.13 -44.27 92.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.887 -0.597 . . . . 61.0 111.406 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.564 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 41.2 mt -66.01 -33.58 76.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.94 -0.573 . . . . 61.0 111.049 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -78.34 -50.49 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.179 -0.464 . . . . 61.0 111.482 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.426 ' HB2' HD22 ' A' ' 28' ' ' LEU . 10.7 ptm85 -71.39 -32.46 68.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.664 -0.698 . . . . 61.0 112.131 -172.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.53 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 41.4 m-85 -103.28 -2.07 27.76 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.744 -0.382 . . . . 61.0 111.734 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.5 m 60.77 71.51 0.56 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.516 0.674 . . . . 61.0 110.203 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 73.9 mt -127.26 152.92 46.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.379 -0.828 . . . . 61.0 110.502 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -97.7 161.91 13.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 61.0 109.52 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -58.11 -44.97 87.99 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.118 0.485 . . . . 61.0 110.545 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 9.9 pt-20 -61.16 -25.89 67.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.47 -0.786 . . . . 61.0 111.538 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.524 ' HG2' HD21 ' A' ' 61' ' ' LEU . 13.8 tp10 -70.19 -57.32 5.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.25 0.548 . . . . 61.0 109.529 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.75 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.79 -0.641 . . . . 61.0 110.597 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.23 -40.34 85.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.899 0.381 . . . . 61.0 110.589 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 96.9 mt -68.26 -45.36 73.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.968 -0.56 . . . . 61.0 110.237 177.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 25.3 m0 -54.94 -52.09 64.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.175 -0.466 . . . . 61.0 110.954 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.552 ' HA ' HG23 ' A' ' 42' ' ' VAL . 10.4 ptm180 -69.12 -22.58 63.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 61.0 111.537 -175.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.7 m -80.47 -42.86 21.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.699 0.285 . . . . 61.0 110.514 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.34 77.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 61.0 111.478 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.428 HG23 HG11 ' A' ' 42' ' ' VAL . 99.0 t -81.43 -53.82 11.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.091 -0.504 . . . . 61.0 111.099 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.25 91.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.055 0.391 . . . . 61.0 112.055 -173.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.14 -12.21 60.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.955 0.407 . . . . 61.0 110.887 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -92.04 -22.01 20.18 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.735 -0.468 . . . . 61.0 109.735 177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -94.13 -8.98 59.81 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.839 -0.696 . . . . 61.0 112.717 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.571 ' HA ' ' OH ' ' A' ' 89' ' ' TYR . 10.0 pt-20 -82.02 23.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 61.0 111.261 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -100.53 -5.63 26.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.327 0.584 . . . . 61.0 109.789 173.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -131.27 100.58 5.23 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.349 -0.841 . . . . 61.0 110.029 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.513 ' HG ' ' HE2' ' A' ' 89' ' ' TYR . 6.3 mp -103.28 84.45 2.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.289 -0.414 . . . . 61.0 111.427 -174.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.411 ' O ' HD13 ' A' ' 86' ' ' ILE . 42.2 tttp -64.85 153.84 38.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.507 -0.923 . . . . 61.0 108.507 170.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.6 p -56.49 -31.34 33.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 121.069 0.462 . . . . 61.0 111.321 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.0 m -91.65 0.17 57.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.377 0.608 . . . . 61.0 111.01 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.4 tpt -87.45 -25.58 23.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.354 -0.385 . . . . 61.0 110.828 -176.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.417 ' H ' HD13 ' A' ' 86' ' ' ILE . 5.3 mp -63.57 -38.79 83.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.94 0.4 . . . . 61.0 110.512 -178.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -61.14 -39.0 88.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.987 0.422 . . . . 61.0 109.933 176.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.605 ' HA ' ' HG2' ' A' ' 91' ' ' GLN . 63.7 mttp -67.59 -30.77 70.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.816 -0.629 . . . . 61.0 110.557 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.571 ' OH ' ' HA ' ' A' ' 78' ' ' GLU . 21.0 m-85 -69.11 -39.89 78.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.965 0.412 . . . . 61.0 110.371 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -75.25 -17.71 60.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.512 . . . . 61.0 111.615 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.605 ' HG2' ' HA ' ' A' ' 88' ' ' LYS . 19.8 pt20 -102.46 -9.14 20.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.99 0.424 . . . . 61.0 110.759 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.603 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 5.8 tt -91.39 121.13 32.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.041 -0.527 . . . . 61.0 110.891 -173.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -92.13 122.88 35.04 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.353 -0.61 . . . . 61.0 109.353 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.407 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 79.9 m80 -87.71 -24.13 23.95 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.893 0.701 . . . . 61.0 112.893 -171.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.826 -0.606 . . . . 61.0 110.671 178.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 ttp . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 120.696 0.284 . . . . 61.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -80.58 -40.83 25.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.108 -0.496 . . . . 61.0 110.663 -175.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -111.78 42.39 1.74 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.987 -0.551 . . . . 61.0 109.996 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.66 ' HG3' ' H ' ' A' ' 5' ' ' ARG . 37.7 tptt 63.85 -167.73 0.21 Allowed 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.429 -0.952 . . . . 61.0 108.429 -174.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.66 ' H ' ' HG3' ' A' ' 4' ' ' LYS . 45.0 ttp180 70.02 162.23 0.23 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.524 0.678 . . . . 61.0 112.162 168.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.431 HG13 ' H ' ' A' ' 8' ' ' GLY . 32.9 t -80.56 132.81 30.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.078 -0.712 . . . . 61.0 109.078 171.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -80.38 -16.72 53.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.09 0.471 . . . . 61.0 111.27 -174.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' H ' HG13 ' A' ' 6' ' ' VAL . . . -112.26 140.88 16.48 Favored Glycine 0 N--CA 1.442 -0.938 0 N-CA-C 111.046 -0.822 . . . . 61.0 111.046 176.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD2' ' O ' ' A' ' 48' ' ' GLY . 51.0 Cg_exo -54.43 154.11 20.54 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.763 2.309 . . . . 61.0 111.893 178.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 22' ' ' ARG . 12.5 ptm180 -87.05 -17.38 33.04 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.523 -0.547 . . . . 61.0 109.523 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.578 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.5 pt20 -154.73 135.84 13.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 61.0 110.729 175.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.6 m -119.9 147.5 23.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.77 -0.65 . . . . 61.0 110.343 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.6 m -90.75 122.38 33.45 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.281 -0.418 . . . . 61.0 110.634 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.557 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -64.27 155.96 77.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.631 -0.507 . . . . 61.0 109.631 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.611 ' HD2' ' OXT' ' A' ' 95' ' ' HIS . 32.1 Cg_exo -58.68 -22.95 63.5 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.298 1.999 . . . . 61.0 111.918 176.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 1.032 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 8.5 t70 -70.12 -37.74 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.541 -0.754 . . . . 61.0 110.261 175.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.0 1.65 16.68 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.879 -0.888 . . . . 61.0 110.879 -170.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -75.05 165.36 25.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.606 0.362 . . . . 61.0 110.375 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.7 t -113.08 123.78 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.922 0.391 . . . . 61.0 110.944 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.557 ' HB2' HD23 ' A' ' 14' ' ' LEU . 52.5 tp -116.43 100.17 7.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.839 -0.619 . . . . 61.0 109.522 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.578 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 85.2 p -98.82 171.94 7.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.142 -0.481 . . . . 61.0 110.651 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 10' ' ' ARG . 52.4 mtt-85 -72.11 -1.93 16.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.895 -0.593 . . . . 61.0 110.367 175.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.05 -6.33 26.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.448 -0.796 . . . . 61.0 109.917 172.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -93.75 -19.27 21.22 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.911 -0.586 . . . . 61.0 109.737 175.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.4 mt -55.17 132.88 68.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.703 -0.68 . . . . 61.0 110.064 173.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.36 147.22 95.29 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.294 1.996 . . . . 61.0 111.463 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.552 ' HG2' ' HG1' ' A' ' 30' ' ' THR . 37.4 Cg_endo -66.0 153.76 76.79 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.523 2.148 . . . . 61.0 112.267 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.54 -13.98 61.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.07 0.462 . . . . 61.0 110.343 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.75 -12.76 61.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.414 -0.812 . . . . 61.0 110.607 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.552 ' HG1' ' HG2' ' A' ' 27' ' ' PRO . 60.2 m -84.94 100.12 11.42 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.179 0.514 . . . . 61.0 111.24 -178.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 14.0 tpt180 -104.23 -24.07 13.17 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.815 -0.63 . . . . 61.0 109.363 170.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 1.7 ptt180 -80.67 71.21 7.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 122.045 0.926 . . . . 61.0 109.433 174.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -63.74 124.8 22.4 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.99 -1.005 . . . . 61.0 112.233 -175.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -106.57 169.83 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.24 -0.891 . . . . 61.0 109.208 172.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.67 76.61 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.026 0.38 . . . . 61.0 112.026 -175.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.4 t -59.67 -45.05 93.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.454 -0.339 . . . . 61.0 111.877 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -71.11 -35.36 71.75 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.829 -0.348 . . . . 61.0 110.697 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.18 -46.25 81.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.017 0.437 . . . . 61.0 110.246 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.0 81.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.327 -0.851 . . . . 61.0 111.246 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.48 -44.56 84.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.339 -0.391 . . . . 61.0 111.067 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.26 -51.11 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.498 -0.319 . . . . 61.0 111.636 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.7 p -66.32 -39.97 85.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 121.062 -0.255 . . . . 61.0 110.997 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -63.14 -33.43 75.45 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 110.064 -0.347 . . . . 61.0 110.064 176.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.458 ' HB3' HD21 ' A' ' 49' ' ' LEU . . . -62.49 -45.44 93.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 61.0 110.86 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 59.5 t -70.6 -41.38 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.235 -0.439 . . . . 61.0 110.743 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.56 -38.36 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.831 -0.622 . . . . 61.0 111.454 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -82.24 -25.06 34.46 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.033 -0.267 . . . . 61.0 111.503 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' O ' ' HD2' ' A' ' 9' ' ' PRO . . . 109.51 5.13 30.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.341 -0.933 . . . . 61.0 113.091 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.522 HD22 ' HG ' ' A' ' 20' ' ' LEU . 44.1 tp -56.97 -57.47 12.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.306 0.574 . . . . 61.0 109.743 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 33.7 pt -126.03 162.69 29.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.47 -0.786 . . . . 61.0 109.296 176.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 4.7 t -87.94 156.21 19.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.405 0.622 . . . . 61.0 110.515 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.7 tt0 -55.8 -42.74 76.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.21 -0.904 . . . . 61.0 110.412 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -68.24 -26.67 65.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.69 -0.687 . . . . 61.0 110.908 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 10.6 tp10 -67.63 -45.27 75.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.601 -0.518 . . . . 61.0 109.601 177.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.46 -46.77 75.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.857 -0.61 . . . . 61.0 110.64 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 68.6 mt -61.54 -32.83 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 61.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -72.93 -58.23 3.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.901 -0.59 . . . . 61.0 111.191 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.2 ptp180 -69.36 -40.97 77.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.098 -0.501 . . . . 61.0 111.993 -173.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -88.39 -0.42 57.16 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.841 -0.343 . . . . 61.0 111.3 -175.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 t 54.81 64.79 1.69 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.645 0.736 . . . . 61.0 109.657 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.509 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 91.1 mt -117.38 163.92 15.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.196 -0.911 . . . . 61.0 110.401 -178.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -114.26 162.61 16.35 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.785 -0.643 . . . . 61.0 109.619 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -62.84 -36.36 82.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.433 0.16 . . . . 61.0 111.433 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.64 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 12.9 pt-20 -60.22 -35.9 76.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 61.0 110.34 175.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.413 ' HG2' HD23 ' A' ' 61' ' ' LEU . 11.5 tp10 -71.56 -55.18 8.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.878 -0.601 . . . . 61.0 110.041 -179.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.406 ' HB2' HD23 ' A' ' 56' ' ' LEU . 59.0 t80 -62.71 -34.04 76.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 61.0 110.824 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.8 73.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.953 0.406 . . . . 61.0 110.541 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 94.2 mt -74.26 -37.67 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 61.0 109.93 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -58.81 -53.61 56.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.424 -0.353 . . . . 61.0 111.038 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.409 ' HA ' HG21 ' A' ' 42' ' ' VAL . 12.3 ptm180 -63.02 -32.26 73.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.662 -0.244 . . . . 61.0 111.346 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 49.1 m -76.64 -28.6 56.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.735 0.302 . . . . 61.0 111.591 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.11 -23.51 19.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.929 0.344 . . . . 61.0 111.929 -177.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.07 -62.93 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.583 0.23 . . . . 61.0 111.333 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.739 ' HA ' HD13 ' A' ' 92' ' ' LEU . . . -71.04 -44.59 65.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.095 0.474 . . . . 61.0 110.749 -175.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 71' ' ' SER . . . -90.72 27.33 1.8 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.924 -0.58 . . . . 61.0 110.73 -177.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -86.55 18.8 3.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.152 0.501 . . . . 61.0 110.676 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.478 ' HA3' ' CZ ' ' A' ' 89' ' ' TYR . . . -76.96 60.96 3.42 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.711 -0.955 . . . . 61.0 110.711 172.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HA ' HD12 ' A' ' 81' ' ' LEU . 12.6 pt-20 -70.27 8.0 0.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 123.544 0.738 . . . . 61.0 112.933 -169.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 70.4 mmtt -96.44 -30.45 13.36 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.016 -0.274 . . . . 61.0 111.259 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.89 90.5 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 61.0 111.186 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 78' ' ' GLU . 5.2 mp -93.47 64.84 3.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.282 0.563 . . . . 61.0 110.162 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.576 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 22.7 tptm -76.97 150.04 35.91 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.861 -0.792 . . . . 61.0 108.861 177.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.543 ' HA ' HD11 ' A' ' 86' ' ' ILE . 7.4 p -44.17 -40.04 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 123.555 0.534 . . . . 61.0 112.303 -176.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.5 m -75.32 -44.02 47.7 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.029 -0.532 . . . . 61.0 111.481 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.576 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 1.1 mpt? -63.23 -32.47 73.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.553 -0.749 . . . . 61.0 111.966 -173.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.554 HG21 ' HE ' ' A' ' 90' ' ' ARG . 4.6 mt -58.32 -36.76 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.441 -0.345 . . . . 61.0 110.801 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -54.95 -42.0 71.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.096 0.474 . . . . 61.0 110.903 177.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 88' ' ' LYS . 28.1 mmtp -89.17 0.11 57.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.786 -0.643 . . . . 61.0 111.0 -176.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.478 ' CZ ' ' HA3' ' A' ' 77' ' ' GLY . 15.4 m-85 -93.97 -37.7 11.55 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.327 -0.62 . . . . 61.0 109.327 168.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.554 ' HE ' HG21 ' A' ' 86' ' ' ILE . 82.0 mtt180 -57.44 -44.94 85.14 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.288 -0.634 . . . . 61.0 109.288 173.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -106.72 60.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.053 -0.976 . . . . 61.0 108.852 170.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.739 HD13 ' HA ' ' A' ' 74' ' ' ALA . 1.1 pt? -54.57 127.42 27.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.116 -0.947 . . . . 61.0 110.271 -178.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.549 ' HA ' ' HG2' ' A' ' 15' ' ' PRO . 3.1 p80 -133.32 99.11 4.43 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 119.546 -0.862 . . . . 61.0 111.318 -176.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -160.52 -55.6 0.05 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.681 -1.145 . . . . 61.0 107.941 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 1.032 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 48.5 t60 . . . . . 0 C--O 1.249 1.036 0 CA-C-N 115.33 -0.85 . . . . 61.0 109.243 171.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.717 0.294 . . . . 99.989999999999995 110.547 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -76.82 117.11 18.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.391 0.615 . . . . 99.989999999999995 109.727 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 tt -163.58 -60.17 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.412 -0.813 . . . . 99.989999999999995 108.874 -175.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -91.51 23.18 3.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.379 -0.828 . . . . 99.989999999999995 109.725 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -165.27 110.2 0.89 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.989 -1.005 . . . . 99.989999999999995 108.461 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.64 135.62 28.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 116.162 -0.472 . . . . 99.989999999999995 111.678 -175.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -81.72 81.33 7.8 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.48 0.657 . . . . 99.989999999999995 109.468 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.39 -154.88 17.53 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.538 -0.756 . . . . 58.509999999999998 111.379 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.697 ' HG2' ' HA ' ' A' ' 49' ' ' LEU . 41.0 Cg_endo -68.31 141.52 51.98 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 121.955 1.77 . . . . 32.18 111.685 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -86.27 -20.67 28.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.218 0.533 . . . . 99.989999999999995 109.798 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.7 pt20 -147.03 150.07 34.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.503 -0.771 . . . . 61.0 110.457 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.89 174.46 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.008 -0.542 . . . . 10.720000000000001 109.839 172.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 m -117.46 143.34 46.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.177 0.513 . . . . 17.920000000000002 111.01 -175.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.555 HD23 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -93.95 146.94 32.6 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.08 -0.509 . . . . 10.15 109.691 176.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.79 -9.07 15.08 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.566 2.177 . . . . 99.989999999999995 111.007 172.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.32 -17.46 54.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.68 -1.145 . . . . 82.609999999999999 110.447 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.0 3.84 56.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.928 -0.654 . . . . 61.0 111.887 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 m -98.57 166.62 11.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.67 -0.265 . . . . 61.0 110.354 -178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.8 t -115.05 133.91 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.98 0.419 . . . . 17.359999999999999 110.638 -177.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.555 ' HB2' HD23 ' A' ' 14' ' ' LEU . 57.8 tp -119.56 105.05 10.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.102 -0.499 . . . . 61.0 110.229 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.541 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 67.5 p -100.48 169.42 9.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.205 -0.452 . . . . 61.0 109.856 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.461 ' CZ ' HG22 ' A' ' 50' ' ' ILE . 43.9 mtt-85 -70.94 -22.59 62.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.924 0.393 . . . . 83.150000000000006 111.237 -178.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.54 -14.27 43.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.26 -0.427 . . . . 61.0 110.648 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -82.95 -22.31 33.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 61.0 110.467 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 mt -49.47 145.52 7.76 Favored Pre-proline 0 N--CA 1.465 0.288 0 CA-C-N 115.664 -0.698 . . . . 17.84 111.438 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.66 158.83 18.7 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.205 2.603 . . . . 61.0 112.383 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.67 158.84 55.37 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.551 2.167 . . . . 61.0 112.581 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.1 mt -84.09 -4.35 58.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.398 0.618 . . . . 20.91 109.742 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.04 -19.5 47.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.329 -0.851 . . . . 76.959999999999994 111.425 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.2 m -72.83 117.85 15.04 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.16 -0.473 . . . . 28.129999999999999 111.878 -176.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -110.53 -42.93 3.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.954 -0.758 . . . . 99.989999999999995 108.954 171.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -80.19 78.61 6.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.82 -0.807 . . . . 99.989999999999995 108.82 173.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.7 m95 -64.45 150.94 45.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.083 -0.962 . . . . 5.29 112.604 -176.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.4 m -123.22 161.52 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.008 -0.996 . . . . 17.510000000000002 108.856 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.23 75.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.354 0.502 . . . . 17.0 112.354 -172.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 m -60.09 -41.57 92.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.332 . . . . 32.609999999999999 111.444 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -74.35 -36.52 63.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.767 0.318 . . . . 61.0 110.487 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -61.72 -44.65 96.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.534 . . . . 14.890000000000001 110.381 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.64 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.533 -0.758 . . . . 14.140000000000001 111.1 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.94 -47.67 82.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.3 -0.409 . . . . 11.710000000000001 111.169 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.35 -50.76 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.274 -0.421 . . . . 14.07 111.439 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.519 HG21 ' HA ' ' A' ' 70' ' ' ARG . 12.4 p -67.64 -37.43 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.318 -0.401 . . . . 61.0 111.316 -175.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.9 -30.75 70.17 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.642 0.258 . . . . 28.719999999999999 110.536 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' HB1' HD23 ' A' ' 20' ' ' LEU . . . -62.56 -43.36 98.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 10.27 110.107 177.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 62.4 t -70.75 -41.93 77.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 13.35 111.034 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.48 -33.41 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.328 -0.397 . . . . 61.0 111.477 -177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -86.32 -6.35 58.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 2.3100000000000001 111.327 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.41 26.16 52.26 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.684 -0.77 . . . . 61.0 112.579 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.697 ' HA ' ' HG2' ' A' ' 9' ' ' PRO . 52.2 tp -76.3 -55.34 5.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.596 0.712 . . . . 61.0 109.181 175.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.461 HG22 ' CZ ' ' A' ' 22' ' ' ARG . 33.6 pt -121.89 164.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.798 -1.092 . . . . 61.0 108.518 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -93.71 152.06 19.22 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 119.991 -0.684 . . . . 61.0 109.858 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.575 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.0 tt0 -51.55 -42.71 62.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.257 0.551 . . . . 23.170000000000002 110.871 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' HA ' HD11 ' A' ' 56' ' ' LEU . 13.0 mmm180 -69.64 -25.74 64.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.4 -0.818 . . . . 99.989999999999995 110.436 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 79.1 tt0 -72.96 -41.39 64.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.685 . . . . 37.359999999999999 109.643 178.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.48 92.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.796 -0.638 . . . . 13.15 110.313 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 67.8 mt -59.41 -38.39 80.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.674 -0.694 . . . . 12.67 110.778 177.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.83 -57.5 4.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 41.530000000000001 111.651 -177.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 10.3 ptp180 -69.57 -36.69 76.53 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.14 0.422 . . . . 91.049999999999997 112.14 -172.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -92.87 -2.08 56.18 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.967 -0.293 . . . . 12.300000000000001 111.154 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.3 t 55.83 67.14 1.05 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.683 0.614 . . . . 46.07 110.069 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.465 HD22 ' HG2' ' A' ' 65' ' ' GLU . 84.0 mt -125.39 148.31 48.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.523 -0.762 . . . . 12.390000000000001 110.145 -178.384 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.4 m -96.44 164.02 12.81 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.793 -0.447 . . . . 11.01 109.793 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.66 -36.95 84.51 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.455 0.169 . . . . 40.850000000000001 111.089 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 10.8 pt-20 -58.56 -21.69 53.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.492 -0.322 . . . . 35.079999999999998 111.063 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.465 ' HG2' HD22 ' A' ' 61' ' ' LEU . 10.6 tp10 -85.91 -60.77 1.92 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 21.57 109.815 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.403 ' CE2' ' HG3' ' A' ' 52' ' ' GLU . 53.6 t80 -60.16 -35.2 74.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.759 -0.655 . . . . 61.0 111.653 -176.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.34 72.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.568 -0.287 . . . . 61.0 110.582 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 80.2 mt -74.94 -40.25 60.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.369 -0.378 . . . . 13.17 110.12 176.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -54.15 -53.14 57.47 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.98 -0.555 . . . . 1.1799999999999999 110.736 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.519 ' HA ' HG21 ' A' ' 42' ' ' VAL . 15.5 ptm180 -66.08 -32.2 73.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 97.849999999999994 111.222 -178.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.455 ' HA ' HD12 ' A' ' 92' ' ' LEU . 57.8 m -71.99 -28.86 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 61.0 111.474 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.82 -40.58 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.242 0.46 . . . . 17.57 112.242 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.3 t -83.55 -43.03 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 111.981 0.363 . . . . 21.43 111.981 -175.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.449 ' HB2' HD11 ' A' ' 92' ' ' LEU . . . -73.25 -30.31 63.37 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.987 -0.285 . . . . 27.280000000000001 111.33 -176.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.23 -1.32 48.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.092 0.472 . . . . 61.0 110.893 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -81.06 108.6 14.87 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.316 -0.624 . . . . 99.989999999999995 109.316 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.25 55.18 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 110.905 -0.878 . . . . 97.980000000000004 110.905 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -87.42 2.38 50.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.235 -0.482 . . . . 99.989999999999995 111.462 -172.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -79.4 -47.71 15.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.673 -0.24 . . . . 99.989999999999995 111.542 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 85' ' ' MET . . . -151.09 134.32 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.621 -0.263 . . . . 99.989999999999995 110.736 -177.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 mp -115.42 74.56 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 99.989999999999995 110.631 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.506 ' O ' HD12 ' A' ' 86' ' ' ILE . 36.6 ttpt -83.92 168.67 15.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.126 -0.694 . . . . 99.989999999999995 109.126 177.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.521 ' HA ' HD11 ' A' ' 86' ' ' ILE . 8.2 p -47.73 -38.47 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 112.307 0.484 . . . . 99.989999999999995 112.307 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 m -61.79 -34.67 76.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.234 0.54 . . . . 99.989999999999995 111.129 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 80' ' ' ALA . 25.4 mmt -74.42 -28.73 61.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.72 -0.673 . . . . 99.989999999999995 111.224 -174.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.521 HD11 ' HA ' ' A' ' 83' ' ' VAL . 2.6 mp -60.79 -31.56 49.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.695 -0.229 . . . . 99.989999999999995 110.915 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -52.97 -44.12 66.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.765 0.317 . . . . 99.989999999999995 110.154 176.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -59.1 -48.46 81.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.726 -0.67 . . . . 99.989999999999995 111.262 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -82.64 -31.6 28.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.889 -0.596 . . . . 99.989999999999995 111.447 -170.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 86' ' ' ILE . 8.8 ptm180 -80.12 -22.7 41.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.598 -0.273 . . . . 99.989999999999995 110.804 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -89.26 -22.88 22.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.014 -0.736 . . . . 99.989999999999995 109.014 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 71' ' ' SER . 6.7 tt -62.76 -53.75 49.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.834 -1.076 . . . . 99.989999999999995 109.412 173.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -84.81 112.4 20.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.487 -0.779 . . . . 99.989999999999995 110.864 -176.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -116.88 86.66 2.54 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.996 -0.372 . . . . 99.989999999999995 109.996 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.524 -0.751 . . . . 99.989999999999995 109.532 178.928 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 121.359 0.599 . . . . 61.0 109.79 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.577 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.5 pt20 -147.38 130.85 16.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.466 -0.788 . . . . 61.0 110.185 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.4 m -109.54 167.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.84 -0.618 . . . . 61.0 110.415 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.4 m -107.11 145.15 32.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.506 -0.315 . . . . 61.0 110.281 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.757 HD21 ' HB2' ' A' ' 20' ' ' LEU . 2.9 mm? -98.32 156.8 35.38 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.899 -0.408 . . . . 61.0 109.899 177.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.78 -16.02 41.29 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.037 1.825 . . . . 61.0 110.293 174.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.1 -25.05 63.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.616 -1.175 . . . . 61.0 110.431 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.14 2.03 51.4 Favored Glycine 0 N--CA 1.453 -0.175 0 N-CA-C 111.098 -0.801 . . . . 61.0 111.098 -173.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.513 ' HB ' HD23 ' A' ' 14' ' ' LEU . 6.4 m -86.04 164.38 17.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.086 -0.557 . . . . 61.0 110.498 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.7 t -111.1 132.69 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.589 -0.522 . . . . 61.0 109.589 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.757 ' HB2' HD21 ' A' ' 14' ' ' LEU . 61.4 tp -119.09 96.86 5.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.97 0.414 . . . . 61.0 110.026 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.577 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.6 p -87.99 173.1 9.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.142 -0.481 . . . . 61.0 109.972 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.422 ' HG3' HD11 ' A' ' 49' ' ' LEU . 78.2 mtt180 -75.36 -1.26 22.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.265 0.555 . . . . 61.0 110.1 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.38 -14.12 17.72 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.489 -0.778 . . . . 61.0 110.598 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' CB ' HD12 ' A' ' 20' ' ' LEU . 3.0 m-20 -78.99 -17.0 56.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.202 -0.453 . . . . 61.0 111.168 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.9 mt -54.19 137.21 58.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 61.0 111.06 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.16 157.63 33.99 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.23 2.62 . . . . 61.0 111.956 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.481 ' O ' HG22 ' A' ' 30' ' ' THR . 32.3 Cg_exo -58.6 152.33 56.44 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.76 2.307 . . . . 61.0 112.385 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -80.91 -24.4 38.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.193 -0.458 . . . . 61.0 110.341 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -80.78 -15.68 55.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.683 -0.689 . . . . 61.0 111.329 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 27' ' ' PRO . 3.7 t -72.9 137.68 45.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.248 0.546 . . . . 61.0 110.422 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -124.99 -23.51 4.23 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.279 0.561 . . . . 61.0 109.596 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -74.27 80.47 1.83 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.733 0.777 . . . . 61.0 109.05 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -78.92 97.75 6.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.065 -0.971 . . . . 61.0 112.167 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.9 m -78.56 165.84 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.621 -0.718 . . . . 61.0 109.973 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.02 77.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.041 0.386 . . . . 61.0 112.041 -175.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.5 m -64.54 -34.98 79.51 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.007 0.373 . . . . 61.0 112.007 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -71.86 -39.45 69.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 61.0 110.431 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -64.02 -41.58 97.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.059 -0.519 . . . . 61.0 109.974 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.7 -45.75 91.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.635 -0.711 . . . . 61.0 111.206 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.01 81.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 61.0 111.317 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.14 -49.38 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 61.0 111.39 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.543 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.6 p -67.93 -38.84 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.888 -0.325 . . . . 61.0 111.212 -176.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.8 mttt -62.93 -33.99 76.52 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.729 0.299 . . . . 61.0 110.233 177.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.31 -47.42 86.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 61.0 110.675 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.4 t -65.6 -45.58 91.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.157 -0.474 . . . . 61.0 110.833 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 42' ' ' VAL . 83.5 mt -61.38 -40.37 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.585 . . . . 61.0 111.527 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -84.94 -1.95 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.903 0.334 . . . . 61.0 111.903 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.73 22.35 62.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.552 -0.832 . . . . 61.0 112.595 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.516 HD22 ' HG ' ' A' ' 20' ' ' LEU . 35.7 tp -73.42 -46.39 48.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.15 -0.685 . . . . 61.0 109.15 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.1 pt -133.73 -179.59 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.825 -1.08 . . . . 61.0 108.647 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.6 t -109.29 155.48 21.1 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.322 -0.551 . . . . 61.0 110.265 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.7 tt0 -54.38 -43.89 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.065 -176.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.436 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 9.0 mmt180 -70.04 -20.09 63.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.406 . . . . 61.0 111.975 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 4.6 tp10 -78.28 -37.29 45.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.15 0.5 . . . . 61.0 109.81 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.83 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.806 -0.634 . . . . 61.0 110.471 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 66' ' ' PHE . 53.1 mt -61.11 -34.69 75.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.734 -0.666 . . . . 61.0 110.443 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.84 -54.48 18.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.323 -0.853 . . . . 61.0 111.544 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.7 ptp180 -77.07 -32.48 56.8 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.493 0.553 . . . . 61.0 112.493 -171.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -97.27 1.89 50.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.808 -0.357 . . . . 61.0 111.336 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.4 m 57.69 66.24 1.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.289 0.566 . . . . 61.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 65' ' ' GLU . 62.4 mt -125.76 164.14 21.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.641 . . . . 61.0 111.115 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 18.4 m -103.72 162.19 13.29 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.117 -0.697 . . . . 61.0 109.117 172.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -67.27 -34.8 78.18 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.817 0.342 . . . . 61.0 110.694 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.77 -29.46 70.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.002 0.429 . . . . 61.0 110.653 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.502 ' HG2' HD22 ' A' ' 61' ' ' LEU . 19.1 tp10 -67.18 -51.65 50.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.761 -0.654 . . . . 61.0 109.349 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.559 ' HB2' HD21 ' A' ' 56' ' ' LEU . 57.5 t80 -60.59 -33.13 72.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.608 -0.724 . . . . 61.0 110.503 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.37 82.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.096 -0.502 . . . . 61.0 110.537 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.47 -44.92 77.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.09 -0.505 . . . . 61.0 110.051 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -56.64 -53.31 59.18 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.963 -0.562 . . . . 61.0 111.287 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.543 ' HA ' HG21 ' A' ' 42' ' ' VAL . 15.4 ptt180 -66.02 -27.79 68.38 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.062 -0.255 . . . . 61.0 111.468 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.2 m -79.8 -28.62 40.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.536 0.208 . . . . 61.0 111.212 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.19 -15.82 34.97 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.721 0.267 . . . . 61.0 111.721 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.7 t . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 120.793 0.33 . . . . 61.0 111.722 -178.384 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 111.24 0.089 . . . . 61.0 111.24 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.584 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.1 pt20 -148.7 145.15 27.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 61.0 110.92 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -131.45 160.05 42.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.043 -0.526 . . . . 61.0 110.719 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m -91.68 144.36 25.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.13 -0.486 . . . . 61.0 110.634 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.694 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.5 mm? -100.96 157.91 32.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 61.0 110.342 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.43 -17.91 43.89 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.238 1.959 . . . . 61.0 110.146 171.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.95 -10.31 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.517 -1.22 . . . . 61.0 110.075 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.5 0.34 73.12 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 115.97 -0.559 . . . . 61.0 112.425 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.89 173.24 10.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.788 0.328 . . . . 61.0 111.224 -177.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.1 t -117.13 124.43 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 61.0 109.787 174.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.614 ' HB2' HD21 ' A' ' 14' ' ' LEU . 34.1 tp -112.26 106.47 15.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.128 -0.487 . . . . 61.0 110.002 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.584 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 78.5 p -96.15 169.53 9.89 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.034 -0.728 . . . . 61.0 109.034 175.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.458 HH11 ' HD2' ' A' ' 22' ' ' ARG . 14.1 mtp180 -68.94 -14.59 63.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.322 0.582 . . . . 61.0 110.173 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.93 -18.22 33.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.688 -0.687 . . . . 61.0 110.57 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.515 ' HB2' HD12 ' A' ' 20' ' ' LEU . 9.8 m-20 -81.1 -11.9 59.38 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.156 -0.474 . . . . 61.0 110.625 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 66.4 mt -60.62 139.89 92.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.843 -0.617 . . . . 61.0 110.794 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.99 157.65 28.3 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.347 2.698 . . . . 61.0 112.76 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.585 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 20.6 Cg_endo -59.74 140.89 95.59 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.033 2.488 . . . . 61.0 112.601 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.35 -28.7 69.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.517 -0.765 . . . . 61.0 111.659 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -84.15 13.85 4.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.403 0.62 . . . . 61.0 111.066 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.585 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 63.4 m -78.84 114.46 17.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.171 0.51 . . . . 61.0 110.372 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -111.37 -43.0 3.77 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.807 -0.812 . . . . 61.0 108.807 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -81.03 73.48 8.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.887 0.851 . . . . 61.0 109.788 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -65.85 136.88 56.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.663 -1.153 . . . . 61.0 112.296 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.3 m -104.76 168.56 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.593 -0.73 . . . . 61.0 109.261 171.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.92 82.37 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.112 0.412 . . . . 61.0 112.112 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.0 m -60.9 -39.59 89.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.894 0.331 . . . . 61.0 111.894 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -71.66 -39.03 70.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.621 0.248 . . . . 61.0 110.648 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -62.55 -45.34 93.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.926 0.393 . . . . 61.0 110.495 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.9 87.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 61.0 111.408 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.51 84.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 61.0 111.325 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.4 t -69.14 -50.91 48.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.347 -0.388 . . . . 61.0 111.396 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.34 -37.07 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.621 -0.263 . . . . 61.0 110.917 -177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.694 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.7 mttt -63.81 -39.26 93.8 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.552 0.215 . . . . 61.0 110.518 176.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.496 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -58.12 -46.45 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 61.0 110.707 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.37 -48.08 78.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.06 -0.518 . . . . 61.0 111.258 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.06 -31.39 53.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.019 -0.537 . . . . 61.0 111.994 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -83.68 -17.63 40.77 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.845 -0.342 . . . . 61.0 111.348 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.73 16.96 32.09 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.49 -0.862 . . . . 61.0 112.987 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.6 tp -72.28 -53.75 11.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.471 -0.566 . . . . 61.0 109.471 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.9 pt -124.85 173.81 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.296 -0.866 . . . . 61.0 109.219 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.505 HG23 ' H ' ' A' ' 54' ' ' GLU . 2.7 t -99.28 151.03 21.5 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.288 0.566 . . . . 61.0 111.076 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.513 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 29.6 tt0 -54.08 -40.41 67.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.734 -1.121 . . . . 61.0 110.402 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -64.75 -35.82 82.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.071 -0.968 . . . . 61.0 110.793 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 28.1 tt0 -68.11 -48.33 65.75 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.998 -0.546 . . . . 61.0 109.876 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.27 -44.57 71.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.56 . . . . 61.0 111.051 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.557 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 24.3 mt -62.39 -46.16 89.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.001 -0.545 . . . . 61.0 110.656 178.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -67.98 -49.69 60.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.863 -0.608 . . . . 61.0 111.513 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 14.9 ptm180 -73.04 -30.37 63.69 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.476 0.547 . . . . 61.0 112.476 -173.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.559 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 47.5 m-85 -104.84 5.11 32.83 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.708 -0.397 . . . . 61.0 111.646 -177.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 m 63.28 30.16 15.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.363 0.602 . . . . 61.0 110.651 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 65.1 mt -87.48 145.57 26.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.859 -0.609 . . . . 61.0 110.471 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 35.5 m -90.54 162.34 15.07 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.497 -0.557 . . . . 61.0 109.497 173.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -63.42 -38.39 90.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.371 -0.377 . . . . 61.0 110.758 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.59 -26.21 64.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.331 -0.395 . . . . 61.0 111.247 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' A' ' 62' ' ' SER . 6.9 tp10 -65.46 -58.15 6.54 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.36 -0.608 . . . . 61.0 109.36 175.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.82 -29.96 69.8 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.766 -0.652 . . . . 61.0 110.594 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.68 83.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.144 -0.48 . . . . 61.0 110.911 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.18 -41.41 70.37 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.458 -0.337 . . . . 61.0 110.369 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.9 m0 -55.39 -53.39 56.87 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.8 -0.636 . . . . 61.0 110.351 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -71.31 -19.5 62.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.788 -0.642 . . . . 61.0 111.01 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.8 t -70.32 -40.15 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.427 . . . . 61.0 109.94 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.42 -45.52 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.029 -0.532 . . . . 61.0 111.568 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.328 -0.361 0 N-CA-C 112.073 0.397 . . . . 61.0 112.073 -174.256 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.496 ' HA ' ' CD ' ' A' ' 22' ' ' ARG . 97.0 mtt180 . . . . . 0 N--CA 1.45 -0.447 0 CA-C-O 120.679 0.276 . . . . 61.0 110.961 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 14.0 pt20 -164.01 142.29 7.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 61.0 110.707 175.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 20' ' ' LEU . 15.9 m -129.85 162.44 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.791 -0.64 . . . . 61.0 110.087 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.3 m -95.74 136.24 36.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.846 0.355 . . . . 61.0 111.011 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.0 mm? -85.52 161.47 51.13 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 61.0 109.966 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HD3' ' NE2' ' A' ' 47' ' ' HIS . 14.3 Cg_exo -68.88 -16.84 41.65 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.218 1.946 . . . . 61.0 110.127 172.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.38 -17.94 61.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.302 -1.317 . . . . 61.0 110.258 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.41 -5.48 67.65 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.337 -0.705 . . . . 61.0 111.337 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.513 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.4 m -78.69 168.89 19.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.339 -0.43 . . . . 61.0 110.636 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.5 t -108.55 131.68 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.936 0.398 . . . . 61.0 110.125 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.795 ' HB2' HD21 ' A' ' 14' ' ' LEU . 63.2 tp -113.11 97.21 6.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.526 . . . . 61.0 110.251 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 97.1 p -88.24 173.02 9.03 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.737 -0.468 . . . . 61.0 109.737 177.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CD ' ' HA ' ' A' ' 10' ' ' ARG . 74.2 mtp85 -70.42 -11.29 60.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.033 0.445 . . . . 61.0 110.682 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.15 -4.8 34.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.674 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.43 ' CB ' HD12 ' A' ' 20' ' ' LEU . 3.6 m-20 -83.82 -15.6 47.72 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.268 -0.423 . . . . 61.0 110.575 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.42 141.02 88.18 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-N 116.092 -0.504 . . . . 61.0 110.405 175.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.32 146.08 93.33 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.776 2.317 . . . . 61.0 111.87 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.46 154.38 59.6 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.014 2.476 . . . . 61.0 112.615 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.62 -9.15 56.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 61.0 111.068 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -83.7 -8.51 59.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 61.0 110.689 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.5 m -79.19 101.25 7.85 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.148 -0.478 . . . . 61.0 111.071 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -32.82 9.58 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.78 -0.822 . . . . 61.0 108.78 171.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.86 80.63 4.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.54 -0.911 . . . . 61.0 108.54 173.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -74.59 118.76 17.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.109 -0.951 . . . . 61.0 112.585 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -96.52 162.92 2.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.764 -0.653 . . . . 61.0 109.377 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.02 -42.04 75.88 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.374 0.509 . . . . 61.0 112.374 -175.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 p -62.43 -43.8 97.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.644 0.239 . . . . 61.0 111.644 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -70.62 -35.57 73.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.661 0.267 . . . . 61.0 110.474 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -62.78 -43.96 97.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 61.0 110.304 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HA ' HG21 ' A' ' 73' ' ' VAL . . . -58.69 -42.94 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.541 -0.754 . . . . 61.0 111.089 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.29 -43.03 82.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.438 -0.347 . . . . 61.0 111.057 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.0 t -66.13 -51.61 57.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.048 -0.524 . . . . 61.0 111.326 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.56 HG21 ' HA ' ' A' ' 70' ' ' ARG . 12.4 p -69.38 -35.84 69.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 61.0 111.431 -175.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.784 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.4 mttt -62.22 -34.34 76.28 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.879 0.371 . . . . 61.0 110.052 176.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.46 95.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.551 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 67.0 t -67.33 -42.52 87.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.966 0.412 . . . . 61.0 110.706 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.09 -39.23 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 61.0 111.607 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.514 ' NE2' ' HD3' ' A' ' 15' ' ' PRO . 83.3 m-70 -83.15 -15.27 51.3 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.782 -0.367 . . . . 61.0 111.523 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.55 24.75 20.3 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.384 -0.912 . . . . 61.0 113.018 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 20' ' ' LEU . 44.2 tp -75.64 -46.38 31.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.118 -0.697 . . . . 61.0 109.118 175.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.449 ' HB ' ' HG2' ' A' ' 54' ' ' GLU . 39.1 pt -132.32 168.98 22.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.916 -1.038 . . . . 61.0 109.09 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.558 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 5.2 t -95.82 157.84 15.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.035 0.445 . . . . 61.0 110.359 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 33.2 tt0 -57.36 -40.98 79.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.915 -0.584 . . . . 61.0 110.723 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -69.66 -22.55 63.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.534 . . . . 61.0 110.993 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 6.2 tp10 -68.61 -48.24 64.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.108 -0.701 . . . . 61.0 109.108 173.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.81 86.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.38 -0.827 . . . . 61.0 111.002 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.537 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 62.0 mt -63.33 -31.05 72.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 61.0 110.827 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.51 -60.3 2.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.096 -0.502 . . . . 61.0 111.225 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm85 -64.3 -30.51 71.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 61.0 111.986 -173.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -104.02 3.17 33.07 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.684 -0.406 . . . . 61.0 110.993 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.0 m 55.32 52.48 11.37 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.316 0.579 . . . . 61.0 110.742 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 73.6 mt -105.98 148.65 27.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.694 -0.685 . . . . 61.0 110.326 -177.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -92.51 160.99 14.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.144 -0.48 . . . . 61.0 109.761 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -62.24 -35.75 79.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.017 0.437 . . . . 61.0 110.444 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.88 -36.13 74.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.689 -0.687 . . . . 61.0 111.323 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -73.51 -52.92 11.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 61.0 110.229 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -61.97 -30.62 71.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.309 -0.405 . . . . 61.0 110.966 -177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.78 87.81 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.953 0.406 . . . . 61.0 110.312 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.92 -45.58 77.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.769 -0.651 . . . . 61.0 110.049 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -52.42 -56.71 13.16 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.818 -0.628 . . . . 61.0 111.315 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.56 ' HA ' HG21 ' A' ' 42' ' ' VAL . 4.6 ptm180 -64.67 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 61.0 111.448 -175.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 m -74.93 -31.47 61.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.663 0.268 . . . . 61.0 111.087 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.26 -45.47 16.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.714 0.292 . . . . 61.0 111.326 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.474 HG21 ' HA ' ' A' ' 39' ' ' ALA . 67.6 t . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.379 -0.373 . . . . 61.0 111.765 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 21' ' ' SER . 8.0 mpt_? . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 120.447 0.165 . . . . 61.0 110.627 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.501 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.7 pt20 -144.16 144.62 31.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.885 0.374 . . . . 61.0 111.07 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.44 HG23 ' HB3' ' A' ' 20' ' ' LEU . 18.2 m -133.52 175.35 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.748 -0.66 . . . . 61.0 109.49 172.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.0 m -109.38 144.61 37.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.923 0.392 . . . . 61.0 111.03 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -94.55 156.86 38.03 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 61.0 110.234 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.484 ' HD3' ' NE2' ' A' ' 47' ' ' HIS . 15.3 Cg_exo -69.22 -4.82 14.43 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.754 2.303 . . . . 61.0 110.476 172.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -96.18 -0.97 49.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.695 -1.139 . . . . 61.0 110.192 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.9 2.84 77.63 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 121.11 -0.567 . . . . 61.0 112.771 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.575 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.9 m -92.02 168.24 11.53 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.879 -0.189 . . . . 61.0 110.974 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.4 t -108.22 128.82 63.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 109.861 -0.422 . . . . 61.0 109.861 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.763 ' HB2' HD21 ' A' ' 14' ' ' LEU . 61.9 tp -110.71 106.39 15.59 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.066 -0.516 . . . . 61.0 109.881 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 91.9 p -95.3 166.65 11.79 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.435 -0.579 . . . . 61.0 109.435 177.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.517 ' NH1' HG22 ' A' ' 50' ' ' ILE . 60.5 mtp85 -73.19 -2.39 21.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.062 0.458 . . . . 61.0 110.325 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.95 -16.68 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.531 -0.759 . . . . 61.0 110.471 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB2' HD12 ' A' ' 20' ' ' LEU . 24.8 m-20 -79.86 -11.98 59.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.257 -0.429 . . . . 61.0 110.674 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.4 HD11 HG21 ' A' ' 50' ' ' ILE . 81.1 mt -59.23 130.24 86.93 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 61.0 110.327 177.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.12 156.17 17.04 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.544 2.829 . . . . 61.0 112.648 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 22.0 Cg_endo -61.44 156.41 46.77 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.121 2.548 . . . . 61.0 112.525 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -81.58 1.32 34.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.017 -0.538 . . . . 61.0 110.601 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.9 -0.18 51.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 61.0 110.499 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 87.6 m -85.09 124.0 31.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.993 -0.549 . . . . 61.0 111.79 -175.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' ARG . 2.1 mmt180 -126.16 -22.53 4.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.046 -0.524 . . . . 61.0 110.285 167.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -78.81 69.47 4.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.857 0.837 . . . . 61.0 108.873 169.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -72.71 106.95 4.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.976 -1.011 . . . . 61.0 112.059 -173.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -80.59 166.21 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.514 -0.55 . . . . 61.0 109.514 171.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.21 -38.45 79.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.122 0.264 . . . . 61.0 111.241 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -57.15 -45.71 83.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.92 -0.582 . . . . 61.0 111.488 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -75.82 -38.39 58.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.155 -0.475 . . . . 61.0 110.775 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -62.27 -44.2 97.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 61.0 110.195 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.45 ' HA ' HG21 ' A' ' 73' ' ' VAL . . . -59.01 -44.17 91.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.691 . . . . 61.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 -42.9 80.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.409 -0.359 . . . . 61.0 111.327 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.97 -53.62 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.395 -0.366 . . . . 61.0 111.309 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.417 HG11 ' HB ' ' A' ' 73' ' ' VAL . 13.7 p -67.1 -37.6 79.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 116.37 -0.377 . . . . 61.0 111.236 -175.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.673 ' HD3' HD12 ' A' ' 14' ' ' LEU . 96.9 mttt -65.98 -30.12 70.62 Favored 'General case' 0 CA--C 1.523 -0.09 0 O-C-N 122.309 -0.245 . . . . 61.0 110.484 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.22 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 61.0 110.499 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.441 HG22 HG13 ' A' ' 50' ' ' ILE . 53.5 t -71.64 -39.71 69.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.019 0.438 . . . . 61.0 110.663 178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 42' ' ' VAL . 84.9 mt -70.25 -32.91 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.896 -0.593 . . . . 61.0 111.976 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.484 ' NE2' ' HD3' ' A' ' 15' ' ' PRO . 84.3 m-70 -90.69 -1.15 57.88 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.995 -0.441 . . . . 61.0 111.92 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.07 37.33 22.23 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.55 -0.833 . . . . 61.0 112.62 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.404 HD11 ' HG3' ' A' ' 22' ' ' ARG . 40.7 tp -95.87 -45.54 6.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.484 0.659 . . . . 61.0 109.661 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.517 HG22 ' NH1' ' A' ' 22' ' ' ARG . 34.0 pt -132.35 173.85 14.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.093 -0.958 . . . . 61.0 109.154 175.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 54' ' ' GLU . 6.4 t -105.28 155.15 19.35 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.118 -0.327 . . . . 61.0 110.118 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 19.9 tt0 -54.28 -43.32 70.94 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.038 0.446 . . . . 61.0 110.571 -177.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 33.7 mmt180 -66.68 -27.34 67.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.859 -0.61 . . . . 61.0 111.734 -177.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' H ' HG23 ' A' ' 51' ' ' THR . 26.1 tt0 -73.8 -39.9 63.77 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.387 -0.597 . . . . 61.0 109.387 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.74 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.699 -0.682 . . . . 61.0 110.171 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 65.6 mt -63.46 -37.17 86.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.478 -0.783 . . . . 61.0 110.815 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.59 -56.17 8.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.966 -0.561 . . . . 61.0 111.769 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 7.5 ptp180 -69.77 -22.91 63.31 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.264 0.468 . . . . 61.0 112.264 -172.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.55 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 62.2 m-85 -107.94 -0.31 21.48 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.712 -0.395 . . . . 61.0 112.014 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.9 t 60.6 46.56 9.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.671 0.748 . . . . 61.0 109.888 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.61 HD22 ' HG2' ' A' ' 65' ' ' GLU . 41.6 mt -102.38 160.26 14.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.517 -0.765 . . . . 61.0 110.027 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' HG2' ' A' ' 64' ' ' GLU . 15.2 m -116.88 170.95 8.22 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.645 -0.502 . . . . 61.0 109.645 176.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -54.15 -42.58 69.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.426 0.155 . . . . 61.0 111.348 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 8.5 pt-20 -51.56 -36.39 44.99 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.158 -0.473 . . . . 61.0 111.624 177.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.61 ' HG2' HD22 ' A' ' 61' ' ' LEU . 7.3 tp10 -74.73 -62.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.735 -0.666 . . . . 61.0 110.184 -176.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.518 ' HB2' HD21 ' A' ' 56' ' ' LEU . 42.5 t80 -61.95 -32.54 72.97 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.759 -0.655 . . . . 61.0 111.502 -173.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.53 -36.68 81.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.742 0.306 . . . . 61.0 110.851 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.39 -37.56 60.47 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.137 -0.483 . . . . 61.0 110.323 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -57.02 -48.65 77.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.936 -0.575 . . . . 61.0 110.745 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -74.78 -23.66 58.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.911 -0.315 . . . . 61.0 110.978 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.4 t -64.16 -31.15 72.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.259 0.552 . . . . 61.0 109.656 173.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.85 -53.72 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.992 -0.549 . . . . 61.0 111.389 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 39' ' ' ALA . 58.3 t . . . . . 0 C--N 1.328 -0.345 0 N-CA-C 112.782 0.66 . . . . 61.0 112.782 -171.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.6 0.238 . . . . 61.0 110.696 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.572 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.3 pt20 -151.3 141.2 21.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.427 -0.351 . . . . 61.0 110.309 176.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 m -131.98 155.98 42.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.414 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -96.6 136.57 36.94 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.15 0.5 . . . . 61.0 111.019 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -88.33 159.17 48.04 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 61.0 110.337 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.17 -15.1 31.97 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.474 2.116 . . . . 61.0 109.956 169.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.09 -15.66 60.6 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 114.669 -1.15 . . . . 61.0 109.807 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.4 2.96 63.36 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.931 -0.652 . . . . 61.0 111.738 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.574 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -89.04 169.84 11.16 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.46 0.304 . . . . 61.0 110.832 -178.337 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.0 t -116.17 125.57 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.774 -0.454 . . . . 61.0 109.774 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.694 ' HB2' HD21 ' A' ' 14' ' ' LEU . 53.1 tp -113.63 108.94 17.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.923 -0.58 . . . . 61.0 110.13 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 88.6 p -99.3 169.96 8.99 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.987 -0.375 . . . . 61.0 109.987 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.587 ' NH1' HG22 ' A' ' 50' ' ' ILE . 48.8 mtp85 -71.91 -6.61 43.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 61.0 110.72 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.4 -8.97 43.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 61.0 110.619 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.537 ' HB2' HD12 ' A' ' 20' ' ' LEU . 21.7 m-20 -90.45 -4.06 57.25 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.119 -0.492 . . . . 61.0 110.578 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.522 HD11 HG21 ' A' ' 50' ' ' ILE . 56.9 mt -67.71 134.81 92.4 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.864 -0.607 . . . . 61.0 110.47 177.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -61.97 149.67 89.37 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.087 2.525 . . . . 61.0 111.474 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.505 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 25.2 Cg_endo -61.5 151.67 78.34 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.741 2.294 . . . . 61.0 112.796 -178.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -70.48 -20.61 62.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 61.0 111.127 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.01 4.77 16.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 61.0 110.531 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.505 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 85.8 m -84.17 103.95 13.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.132 -0.486 . . . . 61.0 111.302 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -109.36 169.45 8.69 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.079 -0.712 . . . . 61.0 109.079 169.392 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 31' ' ' ARG . 46.1 ttt180 76.79 -53.67 0.57 Allowed 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.91 0.756 . . . . 61.0 109.544 -173.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 m95 70.83 159.56 0.2 Allowed 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.285 -0.87 . . . . 61.0 112.564 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.02 162.16 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.614 -1.176 . . . . 61.0 108.728 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -41.04 79.35 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.465 0.543 . . . . 61.0 112.465 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.9 p -58.55 -47.61 83.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.344 . . . . 61.0 111.729 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' HG23 ' A' ' 41' ' ' VAL . 61.2 mtt180 -69.02 -39.39 79.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 61.0 110.878 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.43 -41.75 98.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.251 -0.432 . . . . 61.0 110.69 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.53 93.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 61.0 110.974 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.45 90.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.448 -0.342 . . . . 61.0 110.904 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 37' ' ' ARG . 86.8 t -63.5 -48.12 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 61.0 111.345 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 46' ' ' ILE . 14.9 p -65.73 -41.66 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.848 -0.341 . . . . 61.0 111.075 -177.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.692 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.3 mttt -66.39 -30.13 70.44 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 122.315 -0.241 . . . . 61.0 110.684 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.15 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 61.0 110.469 177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.5 HG22 HG13 ' A' ' 50' ' ' ILE . 56.5 t -65.57 -45.59 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 61.0 110.821 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 42' ' ' VAL . 96.8 mt -56.06 -40.97 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.957 -0.565 . . . . 61.0 111.953 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -88.76 -5.12 58.3 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.733 -0.387 . . . . 61.0 111.818 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.66 17.37 56.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.674 -0.774 . . . . 61.0 112.954 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.494 HD22 ' HG ' ' A' ' 20' ' ' LEU . 31.2 tp -69.52 -44.89 70.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.472 0.653 . . . . 61.0 109.427 177.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.587 HG22 ' NH1' ' A' ' 22' ' ' ARG . 36.0 pt -131.37 172.22 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.091 -0.959 . . . . 61.0 108.959 174.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 54' ' ' GLU . 4.6 t -100.16 149.56 23.4 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.059 0.457 . . . . 61.0 110.262 175.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.655 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 19.9 tt0 -57.24 -40.03 76.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.567 -0.742 . . . . 61.0 110.47 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.61 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 1.2 tmt_? -66.92 -30.56 70.73 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.701 -0.481 . . . . 61.0 109.701 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 31.6 tt0 -66.66 -46.57 75.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.579 -0.526 . . . . 61.0 109.579 178.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.4 86.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.115 -0.493 . . . . 61.0 110.769 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 49.7 mt -68.85 -31.93 71.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.682 -0.69 . . . . 61.0 110.776 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . 16.7 t70 -78.93 -55.34 5.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.981 -0.554 . . . . 61.0 111.232 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.1 ptm180 -67.87 -36.92 81.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.698 -0.683 . . . . 61.0 111.776 -171.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -97.55 -1.11 44.67 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.966 -0.294 . . . . 61.0 111.393 -177.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 t 57.4 74.29 0.42 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.528 0.68 . . . . 61.0 109.844 -176.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 82.5 mt -127.14 -161.89 1.11 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.536 -0.756 . . . . 61.0 110.067 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 m -148.59 157.23 43.32 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.222 -0.659 . . . . 61.0 109.222 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.88 -40.62 84.95 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 123.194 0.309 . . . . 61.0 110.94 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.92 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 61.0 110.979 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -67.92 -50.0 58.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.771 -0.65 . . . . 61.0 109.81 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -62.31 -33.97 75.7 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.091 -0.504 . . . . 61.0 110.576 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.29 82.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 61.0 110.329 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.64 -42.24 87.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.992 -0.549 . . . . 61.0 110.298 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -55.82 -51.64 66.78 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.009 -0.542 . . . . 61.0 111.224 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -71.79 -22.34 61.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.866 0.321 . . . . 61.0 111.866 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.8 m -80.18 -23.52 40.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.036 0.446 . . . . 61.0 110.587 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.32 -23.31 22.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.138 -0.483 . . . . 61.0 111.241 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.329 -0.319 0 C-N-CA 121.063 -0.255 . . . . 61.0 111.648 -179.187 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.801 -0.444 . . . . 61.0 109.801 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.578 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.4 pt20 -155.92 141.71 17.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 61.0 110.26 -177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.95 156.07 31.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.229 -0.441 . . . . 61.0 110.551 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.1 m -93.8 135.33 35.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.232 -0.44 . . . . 61.0 110.916 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.678 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -89.63 156.85 47.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.187 -0.46 . . . . 61.0 110.235 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' NE2' ' A' ' 47' ' ' HIS . 16.0 Cg_exo -68.51 -14.38 39.62 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.525 2.15 . . . . 61.0 110.089 171.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.66 -14.85 60.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.599 -1.182 . . . . 61.0 109.794 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.49 3.98 64.4 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.882 -0.599 . . . . 61.0 111.634 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.488 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.3 m -89.26 169.28 11.58 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.485 -0.358 . . . . 61.0 111.124 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.72 126.5 72.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.853 -0.425 . . . . 61.0 109.853 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.652 ' HB2' HD21 ' A' ' 14' ' ' LEU . 38.7 tp -115.41 104.98 12.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.145 -0.48 . . . . 61.0 110.055 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.578 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.5 p -94.21 169.94 9.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.256 -0.429 . . . . 61.0 110.495 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -66.46 -13.06 60.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.129 -0.487 . . . . 61.0 111.078 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.5 -7.78 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 61.0 110.546 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.492 ' HB2' HD12 ' A' ' 20' ' ' LEU . 24.3 m-20 -86.13 -13.62 46.58 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.931 -0.396 . . . . 61.0 109.931 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt -56.65 129.67 76.74 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.725 -0.67 . . . . 61.0 109.829 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.24 148.74 68.58 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 123.105 2.537 . . . . 61.0 112.214 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.18 155.14 71.92 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.795 2.33 . . . . 61.0 112.449 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -68.6 -17.18 64.07 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.934 -0.575 . . . . 61.0 110.818 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.73 -23.29 65.24 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.568 -0.742 . . . . 61.0 110.532 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.8 m -66.56 113.71 4.96 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.508 0.671 . . . . 61.0 110.559 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.53 -41.52 2.82 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.303 -0.862 . . . . 61.0 108.976 178.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -77.0 82.16 3.53 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.142 -1.058 . . . . 61.0 108.142 168.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -66.42 119.02 10.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.09 -0.959 . . . . 61.0 111.75 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.45 162.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 61.0 109.444 173.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.84 -42.15 71.6 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.303 0.377 . . . . 61.0 111.678 -176.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.6 m -60.09 -40.77 90.74 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.835 0.309 . . . . 61.0 111.835 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -79.07 -32.96 44.96 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.602 -0.272 . . . . 61.0 110.731 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.45 -43.2 91.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.03 0.443 . . . . 61.0 110.417 173.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -61.46 -39.35 90.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.693 -0.685 . . . . 61.0 111.222 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.4 95.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.821 0.343 . . . . 61.0 110.796 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.0 t -66.67 -48.43 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.274 -0.421 . . . . 61.0 111.355 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.526 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.7 p -66.26 -40.21 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.621 -0.263 . . . . 61.0 111.395 -177.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.678 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.1 mttt -65.54 -35.35 80.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.707 0.289 . . . . 61.0 110.461 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.517 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -59.73 -45.92 90.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.119 0.485 . . . . 61.0 110.368 177.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.641 HG11 ' HG3' ' A' ' 52' ' ' GLU . 82.0 t -66.99 -45.04 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.637 -0.711 . . . . 61.0 111.506 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.49 -37.64 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.181 -0.463 . . . . 61.0 111.359 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.415 ' NE2' ' HD3' ' A' ' 15' ' ' PRO . 78.2 m-70 -81.93 -18.13 44.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.801 -0.359 . . . . 61.0 111.355 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.13 2.51 45.09 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.381 -0.914 . . . . 61.0 113.225 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.495 HD22 ' HG ' ' A' ' 20' ' ' LEU . 37.7 tp -55.33 -52.41 63.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.348 0.594 . . . . 61.0 109.6 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 pt -129.07 -175.92 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.724 -0.843 . . . . 61.0 108.724 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.418 HG23 ' H ' ' A' ' 54' ' ' GLU . 8.9 t -123.23 167.04 14.25 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.884 -0.326 . . . . 61.0 110.276 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.641 ' HG3' HG11 ' A' ' 45' ' ' VAL . 6.4 mt-10 -55.54 -48.05 75.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.47 . . . . 61.0 111.621 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -29.56 70.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.828 -0.624 . . . . 61.0 111.02 -177.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 13.1 tp10 -71.59 -46.88 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.742 -0.663 . . . . 61.0 110.219 178.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.4 65.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.916 -0.584 . . . . 61.0 111.105 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 68.1 mt -61.07 -36.41 79.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.594 . . . . 61.0 110.89 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.67 -55.8 9.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.254 -0.43 . . . . 61.0 111.385 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.1 ptp180 -65.88 -37.94 87.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 61.0 111.783 -174.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -92.89 0.08 57.34 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.991 0.367 . . . . 61.0 111.991 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.3 m 58.91 39.23 24.01 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.24 0.543 . . . . 61.0 110.691 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 90.0 mt -93.49 167.86 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.713 -0.676 . . . . 61.0 110.635 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.482 ' HB3' ' OE1' ' A' ' 64' ' ' GLU . 19.0 m -106.25 153.3 22.35 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.418 -0.586 . . . . 61.0 109.418 175.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -63.56 -35.54 80.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.943 0.401 . . . . 61.0 110.799 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.482 ' OE1' ' HB3' ' A' ' 62' ' ' SER . 1.7 pm0 -71.19 -24.31 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 61.0 110.94 177.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 62' ' ' SER . 36.0 tp10 -70.36 -50.39 39.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.223 -0.658 . . . . 61.0 109.223 177.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 42' ' ' VAL . 50.9 t80 -62.86 -29.71 70.95 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.833 -0.622 . . . . 61.0 110.354 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.25 87.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.514 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.17 -42.98 83.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.277 -0.42 . . . . 61.0 110.104 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -54.26 -55.04 32.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.965 -0.561 . . . . 61.0 111.133 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.526 ' HA ' HG21 ' A' ' 42' ' ' VAL . 7.4 ptm180 -69.89 -29.05 66.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 61.0 111.168 -175.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.6 t -75.69 -28.79 58.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.071 0.462 . . . . 61.0 110.317 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.2 -39.2 16.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.474 -0.33 . . . . 61.0 111.492 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.636 0.255 . . . . 61.0 111.401 -176.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.676 0.274 . . . . 61.0 110.274 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.604 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.8 pt20 -154.26 140.46 18.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.946 -0.57 . . . . 61.0 110.717 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.5 m -123.44 159.54 27.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.993 -0.548 . . . . 61.0 110.823 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.2 m -100.65 129.14 46.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.92 -0.582 . . . . 61.0 110.685 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.655 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -83.9 153.89 64.07 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.708 -0.479 . . . . 61.0 109.708 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.45 -14.88 43.96 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.03 1.82 . . . . 61.0 110.048 173.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.72 -16.14 61.2 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.271 -1.331 . . . . 61.0 110.34 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.75 3.37 66.32 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.013 -0.613 . . . . 61.0 111.609 -176.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -86.81 166.44 15.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.312 -0.444 . . . . 61.0 110.641 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.3 t -113.48 129.48 69.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.918 -0.401 . . . . 61.0 109.918 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.623 ' HB2' HD21 ' A' ' 14' ' ' LEU . 50.8 tp -122.49 106.81 11.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.154 -0.475 . . . . 61.0 110.127 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.604 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 86.1 p -101.12 173.8 6.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.443 -0.344 . . . . 61.0 110.145 178.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -71.47 -9.6 58.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.838 0.352 . . . . 61.0 110.818 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.17 -6.99 37.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.099 -0.501 . . . . 61.0 110.608 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.477 ' HB2' HD12 ' A' ' 20' ' ' LEU . 13.4 m-20 -90.68 -18.49 24.97 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.106 -0.497 . . . . 61.0 110.904 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 50' ' ' ILE . 67.6 mt -52.93 139.75 42.27 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-N 116.125 -0.488 . . . . 61.0 111.073 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.31 137.99 78.56 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.792 2.328 . . . . 61.0 111.114 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.89 150.41 78.05 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.644 2.229 . . . . 61.0 112.745 -175.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.4 mt -65.95 -16.41 63.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.526 0.679 . . . . 61.0 109.872 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.43 -28.26 69.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.214 -0.903 . . . . 61.0 111.041 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.511 HG23 HH11 ' A' ' 37' ' ' ARG . 54.4 m -64.54 119.37 10.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.361 0.6 . . . . 61.0 112.103 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 7.9 tpt180 -115.21 -36.04 4.49 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.321 -0.854 . . . . 61.0 108.754 172.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -71.98 82.43 0.94 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.629 -0.714 . . . . 61.0 109.558 172.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -73.94 93.22 2.18 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.629 -0.714 . . . . 61.0 111.977 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.5 m -82.65 170.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.656 -0.702 . . . . 61.0 110.088 175.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.86 -53.42 56.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.636 0.606 . . . . 61.0 112.636 -173.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.8 m -64.11 -32.56 74.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.188 0.44 . . . . 61.0 112.188 -174.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.511 HH11 HG23 ' A' ' 30' ' ' THR . 98.3 mtt180 -70.71 -39.82 73.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.849 0.357 . . . . 61.0 110.325 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.11 -42.02 99.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.95 -0.568 . . . . 61.0 110.253 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.482 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -61.54 -39.02 89.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.523 -0.762 . . . . 61.0 111.305 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.39 98.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.83 0.348 . . . . 61.0 110.763 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 37' ' ' ARG . 59.5 t -64.76 -47.64 87.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.216 -0.447 . . . . 61.0 111.238 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 39' ' ' ALA . 13.5 p -68.22 -38.75 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.43 -0.35 . . . . 61.0 111.126 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.2 mttt -63.46 -30.96 72.0 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.768 0.318 . . . . 61.0 110.372 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.484 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -64.04 -44.69 91.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.028 -0.533 . . . . 61.0 110.911 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.527 HG22 HG13 ' A' ' 50' ' ' ILE . 62.6 t -72.96 -38.14 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.02 0.438 . . . . 61.0 110.95 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.0 -39.0 80.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.984 -0.553 . . . . 61.0 111.427 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -85.9 -18.65 32.13 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.829 -0.348 . . . . 61.0 111.485 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 25.68 13.42 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.192 -1.004 . . . . 61.0 112.603 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.505 HD22 ' HG ' ' A' ' 20' ' ' LEU . 40.1 tp -73.98 -50.45 19.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.065 0.936 . . . . 61.0 108.892 175.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.527 HG13 HG22 ' A' ' 45' ' ' VAL . 37.5 pt -124.88 163.82 24.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.395 -1.275 . . . . 61.0 108.386 173.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.495 HG23 ' H ' ' A' ' 54' ' ' GLU . 10.8 t -92.05 159.85 15.51 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 120.108 -0.637 . . . . 61.0 109.686 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.507 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 31.4 tt0 -57.11 -45.59 83.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.893 -0.594 . . . . 61.0 111.062 -172.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HG2' HD12 ' A' ' 56' ' ' LEU . 1.1 mtp180 -71.03 -26.62 63.18 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 111.846 0.313 . . . . 61.0 111.846 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' H ' HG23 ' A' ' 51' ' ' THR . 28.0 tt0 -62.58 -36.79 83.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.434 -0.58 . . . . 61.0 109.434 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.13 -46.66 76.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.753 -0.658 . . . . 61.0 110.484 174.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.584 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 61.1 mt -61.82 -53.98 48.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.804 -0.635 . . . . 61.0 111.149 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -63.61 -31.25 72.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.782 -0.645 . . . . 61.0 112.402 -172.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.4 ptp180 -86.21 -23.02 26.62 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.3 -0.56 . . . . 61.0 111.967 -178.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.46 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 56.1 m-85 -110.2 4.23 20.8 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.827 -0.349 . . . . 61.0 111.432 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.7 m 63.06 25.59 15.04 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.222 0.534 . . . . 61.0 110.728 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 88.3 mt -81.45 154.48 26.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.761 -0.654 . . . . 61.0 110.868 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.459 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 14.8 m -92.61 154.26 18.5 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.914 -0.585 . . . . 61.0 109.513 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.27 -42.12 81.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.156 -0.475 . . . . 61.0 110.902 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.7 pt-20 -68.13 -30.46 69.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.704 -0.68 . . . . 61.0 110.952 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.459 ' HB3' ' O ' ' A' ' 62' ' ' SER . 7.4 tp10 -60.73 -58.9 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.226 0.536 . . . . 61.0 109.588 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.591 ' HE2' HH11 ' A' ' 70' ' ' ARG . 55.6 t80 -63.64 -31.44 72.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.719 -0.673 . . . . 61.0 110.782 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.25 -44.03 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 61.0 110.154 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 87.6 mt -66.74 -40.07 88.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 61.0 110.481 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -53.52 -51.51 62.61 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.304 -0.407 . . . . 61.0 111.039 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.591 HH11 ' HE2' ' A' ' 66' ' ' PHE . 12.1 ptm180 -77.66 -21.63 51.86 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.117 -0.233 . . . . 61.0 111.611 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.7 m -77.2 -15.81 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.283 0.563 . . . . 61.0 110.068 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.44 -63.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.59 -0.732 . . . . 61.0 110.818 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.342 -0.39 . . . . 61.0 111.962 -173.744 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.747 0.308 . . . . 61.0 110.716 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 6.7 pt20 -149.86 144.95 26.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.997 0.427 . . . . 61.0 111.005 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 m -128.65 157.17 41.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.728 -0.669 . . . . 61.0 110.403 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -90.12 136.76 32.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.825 0.345 . . . . 61.0 111.063 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.734 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.0 mm? -90.97 158.55 41.61 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.46 -0.337 . . . . 61.0 110.095 176.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -74.39 -4.26 15.14 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.383 2.056 . . . . 61.0 111.516 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -102.7 4.03 37.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.173 -0.921 . . . . 61.0 110.364 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.5 -9.76 69.12 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 121.028 -0.606 . . . . 61.0 113.762 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 19' ' ' VAL . 11.2 m -79.65 167.93 20.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.668 0.271 . . . . 61.0 111.095 -178.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.453 ' N ' HG22 ' A' ' 18' ' ' THR . 78.8 t -111.53 132.63 59.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.918 -0.401 . . . . 61.0 109.918 173.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.652 ' HB2' HD21 ' A' ' 14' ' ' LEU . 48.9 tp -113.46 106.67 14.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.264 -0.425 . . . . 61.0 110.123 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 71.3 p -94.78 163.96 13.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.05 -0.523 . . . . 61.0 110.365 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG3' HD11 ' A' ' 49' ' ' LEU . 65.6 mtt180 -70.4 -11.52 60.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.56 -0.291 . . . . 61.0 111.425 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.73 -7.37 43.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.968 0.413 . . . . 61.0 110.386 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' HB3' HD12 ' A' ' 20' ' ' LEU . 34.9 t70 -91.97 -12.09 34.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.024 -0.535 . . . . 61.0 110.293 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.1 139.53 91.08 Favored Pre-proline 0 C--O 1.233 0.212 0 CA-C-N 115.818 -0.628 . . . . 61.0 110.546 174.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.44 138.51 76.75 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.878 2.385 . . . . 61.0 112.274 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -66.05 165.73 23.11 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.495 2.796 . . . . 61.0 113.038 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.1 mt -79.55 -4.57 52.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.688 -0.687 . . . . 61.0 111.773 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -24.34 61.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.406 0.622 . . . . 61.0 109.503 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.507 HG21 ' CD ' ' A' ' 37' ' ' ARG . 69.6 m -79.48 116.13 19.52 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.732 -1.122 . . . . 61.0 112.1 -172.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -116.35 -28.46 6.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.577 -0.738 . . . . 61.0 109.972 172.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -75.24 78.06 2.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.52 0.676 . . . . 61.0 109.326 171.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.489 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 97.5 m95 -71.14 113.15 7.88 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.208 -0.906 . . . . 61.0 111.51 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 33.4 m -103.91 166.14 3.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.428 -0.806 . . . . 61.0 109.595 175.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.42 -41.36 65.95 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.476 0.547 . . . . 61.0 112.476 -173.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.0 m -56.73 -49.64 74.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.218 0.532 . . . . 61.0 111.191 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.507 ' CD ' HG21 ' A' ' 30' ' ' THR . 90.5 mtt-85 -73.8 -35.62 64.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 61.0 110.816 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' ' 33' ' ' TRP . 98.9 mttt -62.69 -43.26 99.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 61.0 110.465 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.42 88.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 61.0 111.243 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.36 90.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.379 -0.373 . . . . 61.0 111.218 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.5 t -67.34 -51.9 47.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.449 -0.341 . . . . 61.0 111.354 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.3 p -66.49 -40.14 85.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.36 . . . . 61.0 111.379 -175.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.3 mttt -66.42 -28.05 68.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.565 0.222 . . . . 61.0 110.691 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.1 82.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.894 0.378 . . . . 61.0 110.591 177.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.89 -42.17 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.141 0.496 . . . . 61.0 110.765 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.67 -27.15 42.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.723 -0.672 . . . . 61.0 111.84 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -102.27 0.28 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.245 0.461 . . . . 61.0 112.245 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.45 21.06 65.23 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.309 -0.948 . . . . 61.0 112.653 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.489 HD11 ' HG3' ' A' ' 22' ' ' ARG . 39.2 tp -74.74 -47.06 33.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.023 -0.732 . . . . 61.0 109.023 176.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.1 pt -132.12 168.93 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.071 -0.968 . . . . 61.0 108.669 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 54' ' ' GLU . 2.4 t -95.67 156.88 16.14 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.056 0.455 . . . . 61.0 110.586 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.483 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 21.9 tt0 -60.9 -39.24 88.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.822 -0.626 . . . . 61.0 110.358 -177.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -58.54 -42.57 88.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.698 -0.683 . . . . 61.0 110.504 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.518 ' H ' HG23 ' A' ' 51' ' ' THR . 32.1 tp10 -57.19 -47.83 80.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.462 -0.79 . . . . 61.0 109.907 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.16 87.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.251 -0.431 . . . . 61.0 111.148 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.565 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 34.4 mt -65.16 -34.07 77.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.231 -0.44 . . . . 61.0 111.015 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -75.79 -59.6 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.6 -0.273 . . . . 61.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.5 ptm180 -64.06 -34.41 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.125 0.417 . . . . 61.0 112.125 -171.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.436 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 38.6 m-85 -102.07 2.12 37.19 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.785 -0.366 . . . . 61.0 111.297 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.1 m 55.3 61.72 2.78 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.345 0.593 . . . . 61.0 110.46 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.565 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 48.4 mt -112.04 148.02 34.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.452 -0.794 . . . . 61.0 110.255 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.3 m -99.07 169.64 9.27 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.053 -0.521 . . . . 61.0 110.102 175.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -58.0 -44.48 87.23 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.465 -0.334 . . . . 61.0 111.366 -175.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.548 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 2.0 pm0 -66.7 -32.73 74.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.612 -0.267 . . . . 61.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.551 ' HG2' HD22 ' A' ' 61' ' ' LEU . 6.9 tp10 -59.34 -60.6 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.032 0.444 . . . . 61.0 109.849 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -61.88 -32.04 72.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.754 -0.657 . . . . 61.0 110.332 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' ' 70' ' ' ARG . . . -62.54 -41.79 99.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 61.0 110.674 176.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 82.7 mt -64.88 -46.35 82.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.475 -0.33 . . . . 61.0 110.472 177.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.6 m0 -56.41 -49.98 72.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 61.0 110.861 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.491 ' HA ' HG21 ' A' ' 42' ' ' VAL . 11.1 ptm180 -70.28 -22.87 62.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 61.0 111.108 -177.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.8 m -84.06 -29.22 27.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.804 0.335 . . . . 61.0 110.955 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.58 -32.23 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.852 0.358 . . . . 61.0 111.386 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.401 -0.363 . . . . 61.0 111.505 -178.301 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 12.0 ptt180 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.315 0.102 . . . . 61.0 110.852 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.563 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.5 pt20 -153.98 144.07 22.02 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.368 0.604 . . . . 61.0 112.008 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 m -117.47 157.68 18.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.408 -0.815 . . . . 61.0 109.993 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.7 m -99.34 140.44 33.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.023 0.439 . . . . 61.0 110.53 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -93.39 148.33 35.36 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.624 -0.51 . . . . 61.0 109.624 177.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.17 -17.51 59.98 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.452 2.102 . . . . 61.0 110.587 174.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.1 -11.37 59.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.887 -1.051 . . . . 61.0 110.554 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.13 -1.42 67.5 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 116.002 -0.544 . . . . 61.0 111.872 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.0 m -80.76 163.13 23.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.617 -0.291 . . . . 61.0 110.228 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -119.48 123.35 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.965 -0.383 . . . . 61.0 109.965 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 60.4 tp -113.17 109.64 19.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.207 -0.451 . . . . 61.0 110.08 -178.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 36.2 p -108.51 165.62 11.39 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.341 -0.39 . . . . 61.0 110.996 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HG3' HD11 ' A' ' 49' ' ' LEU . 33.9 mtp180 -62.79 -19.86 64.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.58 . . . . 61.0 111.224 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.7 -2.7 31.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 61.0 110.897 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -97.05 -15.63 20.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 61.0 110.123 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 mt -50.76 140.39 19.81 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 115.951 -0.568 . . . . 61.0 110.706 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.36 147.41 77.57 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.939 2.426 . . . . 61.0 112.192 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.36 153.17 79.47 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.478 2.119 . . . . 61.0 112.606 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 mt -69.79 -16.51 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.639 -0.709 . . . . 61.0 110.19 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.93 -22.92 65.93 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.186 -0.915 . . . . 61.0 110.808 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.3 m -78.61 106.82 10.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.133 -0.485 . . . . 61.0 111.398 -177.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.426 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 15.9 tpt180 -105.08 -34.92 7.8 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.666 -0.697 . . . . 61.0 109.773 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 32' ' ' ARG . 33.2 ptt180 -78.22 76.94 4.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 122.354 1.073 . . . . 61.0 109.07 171.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -65.4 121.39 14.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.485 -1.234 . . . . 61.0 112.327 -175.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.0 m -91.0 160.86 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.767 -0.651 . . . . 61.0 109.429 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.79 -40.46 69.47 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.824 0.305 . . . . 61.0 111.824 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m -60.58 -41.18 94.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.361 . . . . 61.0 111.557 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -82.05 -30.69 31.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 61.0 111.22 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -64.03 -42.51 97.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.957 0.408 . . . . 61.0 109.912 172.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.39 83.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.573 -0.739 . . . . 61.0 110.998 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.22 80.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.449 -0.342 . . . . 61.0 111.023 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.62 -47.9 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.442 -0.344 . . . . 61.0 111.307 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.9 p -67.09 -40.12 84.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.503 -0.317 . . . . 61.0 111.306 -176.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.0 mttt -69.95 -24.57 63.37 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.079 -0.249 . . . . 61.0 110.728 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -63.76 -49.61 72.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 61.0 110.323 177.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 62.8 t -65.64 -43.23 93.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.182 178.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.02 -41.97 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.402 -0.817 . . . . 61.0 112.349 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -86.63 -0.75 56.81 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.88 0.326 . . . . 61.0 111.88 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.65 15.85 65.02 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.504 -0.855 . . . . 61.0 112.874 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.418 HD22 ' HG ' ' A' ' 20' ' ' LEU . 48.5 tp -68.73 -53.11 23.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.423 0.63 . . . . 61.0 109.489 177.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 34.4 pt -129.35 169.61 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.327 -0.851 . . . . 61.0 109.39 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 54' ' ' GLU . 10.2 t -95.5 159.53 14.95 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 110.126 -0.324 . . . . 61.0 110.126 175.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 29.6 tt0 -63.91 -42.7 97.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 61.0 110.647 -174.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -53.49 -40.73 65.58 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.823 -0.626 . . . . 61.0 110.336 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.56 ' H ' HG23 ' A' ' 51' ' ' THR . 16.9 tp10 -61.2 -51.85 67.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.308 -0.86 . . . . 61.0 110.294 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.14 -46.32 82.81 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.151 -0.477 . . . . 61.0 111.358 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 66' ' ' PHE . 47.0 mt -65.64 -44.83 85.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.682 -0.69 . . . . 61.0 111.232 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.63 -48.29 67.17 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.314 0.487 . . . . 61.0 112.314 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm180 -64.79 -39.88 94.31 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.808 0.299 . . . . 61.0 111.808 -175.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -96.26 1.72 52.32 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.102 -0.239 . . . . 61.0 111.239 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.7 m 60.76 32.1 20.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.622 0.725 . . . . 61.0 110.661 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.568 HD22 ' HG2' ' A' ' 65' ' ' GLU . 84.5 mt -87.88 153.13 21.56 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.29 -0.868 . . . . 61.0 109.526 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 m -95.74 159.64 14.88 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.611 -0.515 . . . . 61.0 109.611 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -59.96 -34.11 72.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.032 0.444 . . . . 61.0 110.641 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.55 -39.37 76.52 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.576 -0.738 . . . . 61.0 111.093 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.568 ' HG2' HD22 ' A' ' 61' ' ' LEU . 15.8 tp10 -65.12 -55.9 16.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.821 -0.627 . . . . 61.0 110.114 -178.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.533 ' HB2' HD21 ' A' ' 56' ' ' LEU . 47.0 t80 -59.77 -31.58 69.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.605 -0.725 . . . . 61.0 110.883 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.2 94.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.03 -0.532 . . . . 61.0 110.442 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.39 -42.56 87.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.952 -0.567 . . . . 61.0 110.485 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -56.78 -54.42 46.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 61.0 111.339 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.479 ' HA ' HG21 ' A' ' 42' ' ' VAL . 13.2 ptm180 -64.81 -26.95 68.56 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.072 -0.251 . . . . 61.0 111.164 -177.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.5 m -75.28 -35.66 61.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.894 0.378 . . . . 61.0 110.642 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.92 -22.98 29.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 61.0 111.898 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.2 t . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 112.031 0.382 . . . . 61.0 112.031 -177.136 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 10' ' ' ARG . 55.0 mtt180 . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.428 0.156 . . . . 61.0 111.379 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 18.0 pt20 -152.01 144.24 23.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.102 0.477 . . . . 61.0 111.658 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.5 m -128.1 -177.75 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.447 -0.797 . . . . 61.0 109.973 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 m -119.0 146.99 44.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.726 0.298 . . . . 61.0 110.638 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.82 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.0 mm? -94.62 159.09 34.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 110.129 -0.323 . . . . 61.0 110.129 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.08 -13.45 33.89 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.296 1.997 . . . . 61.0 110.041 171.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.409 ' OD1' ' HB3' ' A' ' 14' ' ' LEU . 2.5 m-20 -75.21 -15.44 60.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.508 -1.223 . . . . 61.0 110.092 176.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.49 2.56 63.45 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.632 -0.713 . . . . 61.0 111.723 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.688 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.64 171.21 10.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.703 0.287 . . . . 61.0 111.028 -177.817 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.4 t -109.2 137.28 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.421 -0.354 . . . . 61.0 110.126 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.82 ' HB2' HD21 ' A' ' 14' ' ' LEU . 57.1 tp -126.33 101.23 6.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.998 0.427 . . . . 61.0 110.51 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 1.2 m -91.96 166.89 12.47 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.408 -0.59 . . . . 61.0 109.408 176.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.622 ' NH1' HG22 ' A' ' 50' ' ' ILE . 69.9 mtp85 -69.03 -21.66 64.1 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.77 -0.456 . . . . 61.0 109.77 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.48 -7.66 59.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.832 -0.622 . . . . 61.0 111.103 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.05 -8.7 55.17 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.392 -0.367 . . . . 61.0 110.438 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 68.0 mt -64.75 146.9 98.39 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.927 -0.579 . . . . 61.0 110.647 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HB3' ' HD3' ' A' ' 37' ' ' ARG . 37.0 Cg_endo -64.82 148.19 89.87 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.766 2.311 . . . . 61.0 112.257 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.478 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 9.7 Cg_endo -53.98 143.7 60.05 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.87 2.38 . . . . 61.0 112.508 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.52 -24.77 67.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.806 -0.634 . . . . 61.0 111.588 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.93 -6.56 57.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.128 -0.487 . . . . 61.0 111.23 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.478 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 99.9 m -68.24 102.64 1.4 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.335 0.588 . . . . 61.0 110.934 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 11.6 tpt180 -103.63 -26.25 12.86 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.824 -1.176 . . . . 61.0 107.824 172.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -77.2 74.53 3.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.521 -1.218 . . . . 61.0 108.979 172.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -72.52 124.99 26.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.257 -0.883 . . . . 61.0 112.192 -175.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -105.5 158.43 6.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.241 -0.89 . . . . 61.0 109.358 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.05 -40.18 63.8 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.063 0.394 . . . . 61.0 112.063 -176.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -63.85 -37.81 88.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.472 -0.331 . . . . 61.0 111.382 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HD3' ' HB3' ' A' ' 26' ' ' PRO . 73.1 mtt180 -80.59 -28.98 36.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.733 0.302 . . . . 61.0 110.585 -178.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -64.0 -46.57 83.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.215 -0.448 . . . . 61.0 109.874 171.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.28 80.19 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.417 -0.811 . . . . 61.0 110.911 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.57 93.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.3 -0.409 . . . . 61.0 111.161 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.79 -50.26 50.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.442 -0.344 . . . . 61.0 111.265 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.564 HG21 ' HA ' ' A' ' 70' ' ' ARG . 11.8 p -66.75 -40.92 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 61.0 111.263 -175.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.684 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.9 mttt -67.94 -29.24 68.25 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.348 -0.241 . . . . 61.0 110.348 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.42 92.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.494 -0.321 . . . . 61.0 110.864 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.497 HG22 HG13 ' A' ' 50' ' ' ILE . 44.1 t -70.35 -42.19 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.002 0.429 . . . . 61.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 42' ' ' VAL . 57.5 mt -64.04 -29.33 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.201 -0.454 . . . . 61.0 111.424 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -90.6 -9.2 47.9 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.228 -0.295 . . . . 61.0 111.382 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.76 27.7 45.49 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.456 -0.878 . . . . 61.0 112.223 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD22 ' HG ' ' A' ' 20' ' ' LEU . 36.4 tp -78.71 -44.55 23.29 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.965 -0.754 . . . . 61.0 108.965 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.622 HG22 ' NH1' ' A' ' 22' ' ' ARG . 29.4 pt -130.7 164.19 34.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.876 -1.056 . . . . 61.0 108.632 174.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 54' ' ' GLU . 3.1 t -91.5 152.07 20.49 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.143 0.497 . . . . 61.0 110.204 176.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 10.8 tt0 -61.93 -35.94 79.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.654 -0.703 . . . . 61.0 110.324 -175.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -33.57 76.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.522 -0.763 . . . . 61.0 110.005 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 52.0 tt0 -69.35 -43.72 73.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.932 -0.576 . . . . 61.0 110.285 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.74 94.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.964 0.411 . . . . 61.0 110.813 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 44.6 mt -66.13 -33.0 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.756 -0.656 . . . . 61.0 110.96 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -78.8 -53.64 6.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.296 -0.411 . . . . 61.0 111.218 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.1 ptm180 -67.61 -30.23 69.76 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.176 -0.465 . . . . 61.0 111.997 -174.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.478 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 52.9 m-85 -102.96 0.93 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.798 -0.361 . . . . 61.0 111.379 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 m 56.41 58.48 4.2 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.633 0.73 . . . . 61.0 110.52 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.55 HD22 ' HG2' ' A' ' 65' ' ' GLU . 93.8 mt -117.29 -175.69 2.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.16 -0.927 . . . . 61.0 110.084 -178.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -135.69 163.03 31.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.816 -0.629 . . . . 61.0 109.741 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -51.48 -47.73 63.1 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.324 0.39 . . . . 61.0 111.128 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 16.4 pt-20 -53.8 -37.49 63.57 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.511 0.507 . . . . 61.0 111.452 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.55 ' HG2' HD22 ' A' ' 61' ' ' LEU . 10.9 tp10 -70.67 -58.94 3.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.095 -0.502 . . . . 61.0 110.046 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -61.91 -33.37 74.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.955 -0.566 . . . . 61.0 111.09 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HA ' ' HD2' ' A' ' 70' ' ' ARG . . . -61.71 -35.52 78.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 61.0 110.876 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 95.3 mt -72.74 -42.9 63.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.395 -0.366 . . . . 61.0 110.048 176.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -55.5 -50.47 69.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 61.0 110.812 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.564 ' HA ' HG21 ' A' ' 42' ' ' VAL . 6.9 ptm180 -66.35 -31.23 71.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 61.0 110.76 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.9 t -75.6 -30.39 59.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.847 0.356 . . . . 61.0 110.752 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.18 -42.96 11.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.439 -0.346 . . . . 61.0 111.565 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.5 t . . . . . 0 C--N 1.329 -0.304 0 N-CA-C 111.889 0.329 . . . . 61.0 111.889 -174.997 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.946 0.403 . . . . 61.0 110.105 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.5 pt20 -154.12 136.14 14.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.796 -0.638 . . . . 61.0 110.756 175.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 m -118.4 161.71 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.527 -0.761 . . . . 61.0 110.724 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -95.9 140.54 30.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.973 -0.558 . . . . 61.0 110.804 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.697 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.3 mm? -96.03 152.92 39.23 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.717 -0.475 . . . . 61.0 109.717 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -69.41 -9.59 26.64 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.269 1.979 . . . . 61.0 110.555 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.77 -5.43 59.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.645 -1.161 . . . . 61.0 109.824 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.51 17.3 64.42 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.67 -0.695 . . . . 61.0 112.232 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -101.05 168.69 9.44 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.107 -0.331 . . . . 61.0 110.107 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.12 127.57 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.639 -0.504 . . . . 61.0 109.639 175.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 35.1 tp -115.63 107.83 15.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.278 -0.419 . . . . 61.0 110.268 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.583 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 80.6 p -94.3 168.01 11.17 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.788 -0.449 . . . . 61.0 109.788 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.631 ' HE ' HG22 ' A' ' 50' ' ' ILE . 49.5 mtp180 -70.98 -10.56 59.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.898 0.38 . . . . 61.0 110.233 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.86 -12.46 22.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.865 -0.607 . . . . 61.0 110.72 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -85.14 -8.16 58.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.01 0.433 . . . . 61.0 110.072 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.518 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 65.6 mt -63.52 140.69 97.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.599 -0.728 . . . . 61.0 110.333 174.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.01 142.45 65.09 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.146 2.564 . . . . 61.0 111.837 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.09 156.88 52.31 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.589 2.192 . . . . 61.0 112.741 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 mt -67.33 -21.7 65.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.863 -0.608 . . . . 61.0 110.238 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.47 -20.61 66.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.207 -0.906 . . . . 61.0 111.311 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.621 HG21 ' HD3' ' A' ' 37' ' ' ARG . 52.9 m -67.35 115.21 6.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.478 0.656 . . . . 61.0 112.511 -178.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 15.7 tpt180 -108.01 -40.76 5.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.486 -0.779 . . . . 61.0 109.506 168.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -69.56 87.04 0.47 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.486 0.66 . . . . 61.0 110.381 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.459 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 97.1 m95 -76.79 100.09 5.36 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.394 -0.821 . . . . 61.0 111.489 177.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.15 172.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.824 -0.625 . . . . 61.0 109.718 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.3 -41.4 84.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.71 0.291 . . . . 61.0 111.45 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -58.87 -50.33 74.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.073 -0.512 . . . . 61.0 111.218 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.621 ' HD3' HG21 ' A' ' 30' ' ' THR . 89.0 mtt180 -70.4 -37.71 74.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.977 -0.556 . . . . 61.0 111.501 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' HE2' ' O ' ' A' ' 33' ' ' TRP . 63.7 mttm -61.47 -43.17 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 61.0 110.592 176.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -61.54 -42.93 99.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.848 -0.615 . . . . 61.0 111.357 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.68 87.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.446 -0.343 . . . . 61.0 111.144 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.95 -49.43 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 61.0 111.337 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.9 p -66.85 -38.66 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.531 -0.304 . . . . 61.0 111.308 -176.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.697 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.8 mttt -67.55 -27.1 66.67 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.609 0.242 . . . . 61.0 110.708 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.476 ' HB2' HD21 ' A' ' 25' ' ' LEU . . . -65.26 -50.82 64.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.359 . . . . 61.0 111.058 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 50' ' ' ILE . 54.5 t -67.18 -40.55 85.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.326 0.584 . . . . 61.0 109.904 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.3 mt -57.6 -37.5 58.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 114.995 -1.002 . . . . 61.0 112.241 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -95.26 4.26 53.69 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.663 -0.415 . . . . 61.0 111.698 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.76 15.77 78.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 61.0 112.888 176.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.4 tp -65.91 -51.19 60.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.685 0.755 . . . . 61.0 109.446 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.631 HG22 ' HE ' ' A' ' 22' ' ' ARG . 37.4 pt -125.17 168.36 18.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.821 -1.081 . . . . 61.0 108.976 175.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.516 HG23 ' H ' ' A' ' 54' ' ' GLU . 6.1 t -90.54 152.42 20.92 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.438 0.637 . . . . 61.0 110.845 177.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 17.6 tt0 -56.89 -38.86 73.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.954 -1.021 . . . . 61.0 110.555 -177.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 53' ' ' ARG . 16.4 mmt180 -74.9 -21.15 59.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.424 -0.807 . . . . 61.0 111.152 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 42.5 tt0 -70.63 -45.94 64.27 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.484 -0.561 . . . . 61.0 109.484 175.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.48 93.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.733 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 32.7 mt -68.06 -26.51 65.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.616 . . . . 61.0 110.8 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -85.21 -55.99 3.76 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.965 -0.294 . . . . 61.0 111.638 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.6 ptm180 -65.09 -24.18 67.37 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.226 0.454 . . . . 61.0 112.226 -174.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.518 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 38.2 m-85 -114.29 4.87 15.58 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.63 -0.428 . . . . 61.0 111.155 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 p 47.93 63.12 2.16 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.912 0.863 . . . . 61.0 110.756 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 85.2 mt -109.21 147.49 32.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.858 -1.064 . . . . 61.0 109.686 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.431 ' HB3' ' OE1' ' A' ' 64' ' ' GLU . 21.7 m -89.52 156.96 18.29 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.038 -0.528 . . . . 61.0 109.918 177.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -57.92 -41.32 82.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.524 -0.762 . . . . 61.0 110.752 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.552 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.8 pm0 -68.57 -32.48 72.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.808 -0.633 . . . . 61.0 110.819 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -62.7 -56.91 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.51 -0.552 . . . . 61.0 109.51 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.09 -33.2 73.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.998 -0.546 . . . . 61.0 110.767 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 70' ' ' ARG . . . -59.44 -40.83 88.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 61.0 110.534 176.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 90.7 mt -65.8 -46.7 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.564 177.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -52.64 -48.84 66.15 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.089 -0.505 . . . . 61.0 111.101 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HA ' HG21 ' A' ' 42' ' ' VAL . 8.4 ptm180 -72.0 -30.79 65.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.406 -0.361 . . . . 61.0 110.783 -176.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.2 m -76.47 -17.89 59.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.976 0.417 . . . . 61.0 110.797 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.67 -42.66 8.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 61.0 111.511 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.33 -0.24 0 N-CA-C 112.031 0.382 . . . . 61.0 112.031 -175.405 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 120.587 0.232 . . . . 61.0 111.267 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.7 pt20 -147.71 151.2 35.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.761 0.315 . . . . 61.0 110.956 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.2 m -130.01 165.66 29.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.575 . . . . 61.0 110.403 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.7 m -102.37 142.36 33.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.972 0.415 . . . . 61.0 110.949 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.677 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.1 mm? -96.03 151.15 38.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.287 -0.415 . . . . 61.0 109.932 176.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -69.11 -12.69 34.76 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.121 1.881 . . . . 61.0 110.016 171.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.91 -7.22 55.14 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.431 -1.259 . . . . 61.0 109.464 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.0 14.16 70.13 Favored Glycine 0 C--N 1.334 0.458 0 CA-C-N 115.776 -0.647 . . . . 61.0 112.332 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.589 ' HB ' HD23 ' A' ' 14' ' ' LEU . 2.1 m -98.96 167.71 10.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.57 0.224 . . . . 61.0 110.807 -177.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.3 t -114.02 123.55 69.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.682 -0.488 . . . . 61.0 109.682 174.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.677 ' HB2' HD21 ' A' ' 14' ' ' LEU . 46.8 tp -116.43 115.45 25.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.041 0.448 . . . . 61.0 110.229 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 8.7 m -107.64 161.54 14.77 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.921 -0.582 . . . . 61.0 110.18 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.604 ' NH1' HG22 ' A' ' 50' ' ' ILE . 75.1 mtp85 -65.92 -25.1 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.684 0.278 . . . . 61.0 111.59 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.39 -5.06 50.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.877 0.37 . . . . 61.0 110.566 176.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' HB3' ' H ' ' A' ' 21' ' ' SER . 35.4 t70 -88.71 -16.5 32.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.179 0.514 . . . . 61.0 109.85 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.8 mt -55.77 146.89 44.59 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 115.273 -0.876 . . . . 61.0 110.525 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.06 149.12 64.63 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.934 2.423 . . . . 61.0 112.477 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.606 ' O ' HG22 ' A' ' 30' ' ' THR . 19.4 Cg_endo -60.7 157.09 39.09 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.697 2.265 . . . . 61.0 111.56 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 58' ' ' ARG . 48.9 mt -74.15 -6.71 49.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.101 0.477 . . . . 61.0 110.931 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.9 -13.2 54.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.813 -0.63 . . . . 61.0 111.764 -175.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 27' ' ' PRO . 7.2 t -71.95 111.47 7.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.894 0.854 . . . . 61.0 112.513 -171.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 16.1 mmm180 -104.56 -29.75 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.355 -0.839 . . . . 61.0 109.301 168.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -79.98 71.72 6.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.903 0.858 . . . . 61.0 109.386 174.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -67.1 103.29 1.16 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.011 -0.995 . . . . 61.0 112.087 -176.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 m -82.65 163.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.778 -0.646 . . . . 61.0 109.616 172.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.18 81.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 61.0 111.186 -176.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 m -58.56 -37.09 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 61.0 111.458 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -80.14 -41.56 25.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.63 -0.259 . . . . 61.0 111.075 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -61.39 -45.3 94.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 61.0 110.749 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.35 91.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.852 -0.613 . . . . 61.0 111.075 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.45 80.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.451 -0.341 . . . . 61.0 111.013 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.3 t -62.79 -49.62 82.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.151 -0.477 . . . . 61.0 111.266 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.576 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.0 p -68.75 -41.25 82.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.378 -0.373 . . . . 61.0 111.225 -176.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.527 ' HD3' HD12 ' A' ' 14' ' ' LEU . 44.0 mttm -65.56 -29.87 70.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.622 0.249 . . . . 61.0 110.354 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -61.95 -45.64 92.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 61.0 110.6 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.424 HG22 HG13 ' A' ' 50' ' ' ILE . 51.6 t -68.65 -40.31 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 61.0 110.878 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 42' ' ' VAL . 79.3 mt -67.32 -23.81 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 115.86 -0.609 . . . . 61.0 111.419 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -99.37 -7.42 26.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.835 0.309 . . . . 61.0 111.835 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.37 19.31 60.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.421 -0.895 . . . . 61.0 112.564 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.477 HD22 ' HG ' ' A' ' 20' ' ' LEU . 50.2 tp -73.89 -41.7 61.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.563 0.697 . . . . 61.0 109.256 176.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.604 HG22 ' NH1' ' A' ' 22' ' ' ARG . 33.7 pt -134.71 165.49 31.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.851 -1.068 . . . . 61.0 108.483 175.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 54' ' ' GLU . 3.1 t -93.32 154.29 18.07 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 120.517 -0.473 . . . . 61.0 110.085 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 33.3 tt0 -55.45 -43.9 75.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 61.0 110.675 -177.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HD2' HD12 ' A' ' 56' ' ' LEU . 5.7 mmm180 -66.53 -32.38 73.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.784 -0.644 . . . . 61.0 111.301 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 34.6 tt0 -64.93 -42.87 94.31 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.667 -0.494 . . . . 61.0 109.667 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.05 99.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.221 0.534 . . . . 61.0 110.512 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 62.7 mt -69.35 -28.69 66.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.531 -0.759 . . . . 61.0 111.322 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -94.71 -24.53 17.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.879 0.696 . . . . 61.0 112.879 -175.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm180 -84.43 -18.18 36.81 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.2 -0.6 . . . . 61.0 110.868 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.422 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 71.9 m-85 -117.37 0.88 12.31 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.049 -0.26 . . . . 61.0 111.314 178.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.3 m 59.15 38.36 23.71 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.275 0.56 . . . . 61.0 111.314 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.54 HD22 ' HG2' ' A' ' 65' ' ' GLU . 93.3 mt -91.93 167.2 12.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.82 -0.627 . . . . 61.0 111.171 -176.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -105.56 163.5 12.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.685 -0.689 . . . . 61.0 109.948 175.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.49 -38.29 89.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 120.677 0.275 . . . . 61.0 110.668 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.49 -28.53 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.438 -0.346 . . . . 61.0 111.096 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.54 ' HG2' HD22 ' A' ' 61' ' ' LEU . 7.6 tp10 -67.27 -56.87 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.01 -0.737 . . . . 61.0 109.01 176.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.64 -32.42 70.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.079 -0.964 . . . . 61.0 110.621 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' A' ' 70' ' ' ARG . . . -61.43 -41.15 96.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 61.0 110.927 177.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.72 -42.58 86.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.274 -0.421 . . . . 61.0 110.168 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -58.81 -54.25 49.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.799 -0.637 . . . . 61.0 111.069 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.576 ' HA ' HG21 ' A' ' 42' ' ' VAL . 11.2 ptm180 -64.61 -26.92 68.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.438 -0.346 . . . . 61.0 111.117 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 t -72.91 -43.63 62.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 61.0 110.232 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.66 -39.36 37.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.17 -0.468 . . . . 61.0 111.879 -175.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 112.053 0.39 . . . . 61.0 112.053 -174.731 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.984 0.421 . . . . 61.0 110.05 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.587 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.9 pt20 -154.49 143.0 20.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.74 -0.664 . . . . 61.0 110.846 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.0 m -122.65 161.51 23.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.958 -0.564 . . . . 61.0 110.345 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 m -96.37 141.57 29.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.897 0.38 . . . . 61.0 110.955 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -91.87 142.8 26.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 109.53 -0.544 . . . . 61.0 109.53 174.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.452 ' HD3' ' CE1' ' A' ' 47' ' ' HIS . 23.4 Cg_exo -63.82 -8.96 17.05 Favored 'Trans proline' 0 CA--C 1.527 0.146 0 C-N-CA 122.663 2.242 . . . . 61.0 110.94 172.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -85.24 -2.44 58.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.105 -0.952 . . . . 61.0 110.036 177.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.16 59.21 3.44 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.526 -0.629 . . . . 61.0 111.526 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.401 ' HB ' HD23 ' A' ' 14' ' ' LEU . 8.6 m -150.51 166.47 30.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.58 -0.526 . . . . 61.0 109.58 -177.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -111.56 130.47 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.686 0.279 . . . . 61.0 110.67 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.74 ' HB2' HD21 ' A' ' 14' ' ' LEU . 61.1 tp -119.06 99.22 6.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.587 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 87.0 p -89.36 172.23 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.284 -0.636 . . . . 61.0 109.284 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -70.12 -13.49 62.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.289 0.566 . . . . 61.0 110.055 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.07 -7.06 52.82 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.921 -0.581 . . . . 61.0 110.859 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' HB2' HD12 ' A' ' 20' ' ' LEU . 10.8 m-20 -87.88 -4.69 58.83 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.183 -0.462 . . . . 61.0 110.429 177.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.448 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 85.3 mt -68.92 148.14 97.89 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.736 -0.666 . . . . 61.0 110.306 175.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.77 150.16 88.57 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.56 2.173 . . . . 61.0 111.697 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.67 166.1 27.18 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.755 2.303 . . . . 61.0 112.945 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.32 -13.81 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.903 -0.589 . . . . 61.0 111.084 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -80.91 0.29 35.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.527 . . . . 61.0 110.449 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 37' ' ' ARG . 99.8 m -83.65 120.04 25.49 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.609 0.719 . . . . 61.0 111.795 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -128.73 -31.16 2.23 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.872 -1.058 . . . . 61.0 108.698 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -78.19 79.74 4.63 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 107.917 -1.142 . . . . 61.0 107.917 171.448 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -75.46 110.72 10.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.359 -0.837 . . . . 61.0 112.042 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.3 m -89.94 170.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.636 -0.711 . . . . 61.0 109.925 172.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.27 -44.69 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.864 0.32 . . . . 61.0 111.864 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 p -60.93 -41.35 96.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.999 0.428 . . . . 61.0 111.447 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.591 ' HD3' HG21 ' A' ' 30' ' ' THR . 76.4 mtt180 -71.03 -38.41 72.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 61.0 111.286 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.28 -42.27 93.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.883 0.373 . . . . 61.0 110.474 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.38 98.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.837 -0.619 . . . . 61.0 111.333 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.29 92.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.714 0.293 . . . . 61.0 110.994 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.99 -52.79 49.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.354 -0.385 . . . . 61.0 111.128 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.577 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -66.49 -40.16 85.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.322 -0.399 . . . . 61.0 111.32 -175.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.496 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.2 mttt -65.19 -31.58 72.84 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 120.616 0.246 . . . . 61.0 110.735 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.76 -45.05 95.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.276 -0.42 . . . . 61.0 110.379 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.68 -46.13 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.276 -0.42 . . . . 61.0 110.763 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 42' ' ' VAL . 74.5 mt -62.03 -30.14 48.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 116.025 -0.534 . . . . 61.0 111.7 -177.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.452 ' CE1' ' HD3' ' A' ' 15' ' ' PRO . 74.9 m-70 -92.96 -13.41 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.936 -0.306 . . . . 61.0 111.572 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.67 9.12 58.99 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.479 -0.867 . . . . 61.0 113.395 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.524 HD22 ' HG ' ' A' ' 20' ' ' LEU . 50.0 tp -62.77 -42.24 99.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.593 0.711 . . . . 61.0 109.715 178.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.708 ' HB ' ' HG2' ' A' ' 54' ' ' GLU . 46.4 pt -133.82 177.24 7.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.021 -0.991 . . . . 61.0 108.862 175.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.627 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 3.5 t -106.09 158.0 17.13 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.893 -0.41 . . . . 61.0 109.893 175.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.571 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 30.6 tt0 -57.53 -40.79 79.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.153 0.501 . . . . 61.0 110.281 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.576 HH11 ' HB2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -66.29 -27.43 67.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 61.0 109.95 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.708 ' HG2' ' HB ' ' A' ' 50' ' ' ILE . 3.5 tp10 -66.4 -51.55 55.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.581 -0.736 . . . . 61.0 109.717 177.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.51 81.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.712 -0.677 . . . . 61.0 111.109 -176.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 77.7 mt -60.58 -35.47 76.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 61.0 111.335 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.576 ' HB2' HH11 ' A' ' 53' ' ' ARG . 30.7 t70 -79.97 -48.6 13.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.898 0.38 . . . . 61.0 111.534 -175.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -70.64 -35.51 72.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 61.0 111.799 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.448 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 45.4 m-85 -97.37 -4.55 38.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.069 -0.252 . . . . 61.0 111.022 -177.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.3 t 60.96 73.55 0.48 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.479 0.657 . . . . 61.0 109.851 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 88.8 mt -131.82 156.64 45.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.431 -0.804 . . . . 61.0 110.414 -178.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 m -102.74 159.27 15.62 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.101 -0.5 . . . . 61.0 109.663 176.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -60.45 -38.5 84.36 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.717 -0.219 . . . . 61.0 110.713 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.04 -36.74 80.35 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.942 0.401 . . . . 61.0 110.684 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.434 ' HG2' HD22 ' A' ' 61' ' ' LEU . 15.1 tp10 -66.24 -53.77 33.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.318 -0.623 . . . . 61.0 109.318 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.473 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 54.7 t80 -60.28 -34.11 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.548 -0.751 . . . . 61.0 110.548 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.49 91.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.234 -0.439 . . . . 61.0 110.708 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.54 -44.31 97.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 61.0 110.11 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -58.9 -55.41 35.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.91 -0.586 . . . . 61.0 111.175 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HA ' HG21 ' A' ' 42' ' ' VAL . 1.3 ptm180 -66.29 -33.08 74.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 61.0 111.465 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.1 t -71.3 -36.2 71.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.948 0.404 . . . . 61.0 110.272 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.24 -53.66 18.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 61.0 110.921 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.552 HG21 HG11 ' A' ' 42' ' ' VAL . 85.2 t . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.865 -0.607 . . . . 61.0 111.562 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 121.306 0.574 . . . . 61.0 109.912 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.576 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.2 pt20 -149.06 138.09 21.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.271 -0.877 . . . . 61.0 110.582 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.442 HG21 ' HB2' ' A' ' 47' ' ' HIS . 19.5 m -118.56 149.57 20.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.841 -0.618 . . . . 61.0 110.364 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 14' ' ' LEU . 26.2 m -85.99 136.21 33.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.296 -0.411 . . . . 61.0 111.111 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -79.14 160.15 71.52 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 108.849 -0.797 . . . . 61.0 108.849 172.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -60.08 -20.35 60.63 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.31 2.007 . . . . 61.0 111.864 178.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -77.67 -22.52 50.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.234 -0.894 . . . . 61.0 111.179 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.16 -2.11 37.85 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.803 -0.713 . . . . 61.0 111.329 -174.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.426 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.13 166.69 23.26 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 122.291 0.236 . . . . 61.0 110.944 178.625 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.68 131.52 57.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.105 0.479 . . . . 61.0 111.134 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.667 ' HB2' HD21 ' A' ' 14' ' ' LEU . 67.7 tp -119.88 99.12 6.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.612 -0.722 . . . . 61.0 109.517 175.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.576 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.0 p -95.51 173.81 7.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.369 -0.378 . . . . 61.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.482 ' HG3' HD11 ' A' ' 49' ' ' LEU . 79.8 mtt180 -73.25 -12.09 60.74 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.332 -0.395 . . . . 61.0 110.757 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.15 -8.68 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 61.0 110.243 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -86.03 -17.32 35.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 61.0 110.315 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -57.9 137.2 83.52 Favored Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 116.032 -0.531 . . . . 61.0 110.909 176.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.41 155.05 64.56 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.006 2.471 . . . . 61.0 112.128 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 59.3 Cg_endo -69.66 156.78 62.71 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.717 2.278 . . . . 61.0 112.609 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.4 mt -74.26 -14.52 60.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.329 0.585 . . . . 61.0 109.92 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.8 -4.26 36.63 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.181 -0.918 . . . . 61.0 110.484 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.406 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 89.8 m -77.2 111.3 12.67 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.858 -0.61 . . . . 61.0 111.539 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -106.64 -38.62 6.08 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.502 -0.925 . . . . 61.0 108.502 170.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -75.14 84.93 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.405 -0.816 . . . . 61.0 109.594 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -75.07 108.4 7.78 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.497 -0.774 . . . . 61.0 112.074 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.29 161.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.307 -0.861 . . . . 61.0 109.739 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.8 70.79 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.308 0.38 . . . . 61.0 111.938 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -55.19 -47.1 75.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.199 0.523 . . . . 61.0 110.871 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 41' ' ' VAL . 91.6 mtt180 -76.97 -34.18 57.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.717 -0.674 . . . . 61.0 110.678 -176.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.28 -46.53 83.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 61.0 110.765 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.22 -44.81 92.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.699 -0.682 . . . . 61.0 111.281 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.03 86.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.408 -0.36 . . . . 61.0 111.274 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 37' ' ' ARG . 90.2 t -66.14 -52.15 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.401 . . . . 61.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.2 p -68.13 -38.95 80.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.201 -0.454 . . . . 61.0 111.384 -175.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.22 -29.25 70.03 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.75 0.309 . . . . 61.0 110.35 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.65 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.875 -0.602 . . . . 61.0 110.439 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.89 -43.0 96.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.18 0.514 . . . . 61.0 110.477 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.85 -48.58 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.541 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.442 ' HB2' HG21 ' A' ' 12' ' ' VAL . 53.0 m-70 -77.34 -3.89 42.34 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.989 0.366 . . . . 61.0 111.989 -176.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.21 23.69 53.98 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.387 -0.911 . . . . 61.0 112.72 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD11 ' HG3' ' A' ' 22' ' ' ARG . 52.1 tp -75.9 -46.15 31.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.372 0.606 . . . . 61.0 109.474 177.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 35.0 pt -132.9 172.73 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.959 -1.019 . . . . 61.0 109.218 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 54' ' ' GLU . 5.0 t -98.49 157.31 16.3 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.922 0.391 . . . . 61.0 110.61 177.007 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 37.4 tt0 -58.66 -46.11 87.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.99 -0.55 . . . . 61.0 110.675 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -31.94 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.746 -0.661 . . . . 61.0 111.013 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.518 ' H ' HG23 ' A' ' 51' ' ' THR . 12.2 tp10 -59.52 -48.24 82.4 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.499 -0.556 . . . . 61.0 109.499 176.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.99 76.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.594 -0.73 . . . . 61.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 75.0 mt -58.22 -44.45 88.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.119 -0.491 . . . . 61.0 111.111 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.33 -54.57 16.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.371 . . . . 61.0 111.84 -178.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 12.3 ptp180 -73.08 -21.65 60.73 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.147 0.425 . . . . 61.0 112.147 -171.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.45 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 47.6 m-85 -110.21 4.08 20.65 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.589 -0.444 . . . . 61.0 111.86 -177.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 t 61.65 37.46 15.99 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.311 0.577 . . . . 61.0 110.437 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 71.2 mt -96.58 144.85 26.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.862 -0.608 . . . . 61.0 110.414 -177.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.3 m -99.86 165.39 11.58 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.979 -0.555 . . . . 61.0 109.803 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -54.23 -49.57 69.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 61.0 111.23 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.0 -25.97 67.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 61.0 111.272 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.39 -56.23 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.505 -0.554 . . . . 61.0 109.505 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -62.39 -30.8 71.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.748 -0.66 . . . . 61.0 110.504 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.42 90.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.092 -0.504 . . . . 61.0 110.439 175.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -47.16 78.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 61.0 110.41 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 17.4 m0 -54.8 -54.19 45.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.768 -0.651 . . . . 61.0 111.554 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.556 ' HA ' HG21 ' A' ' 42' ' ' VAL . 13.6 ptm180 -67.99 -25.81 65.6 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.968 -0.293 . . . . 61.0 111.397 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.4 m -73.81 -38.08 64.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 61.0 110.585 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.99 -19.16 57.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 61.0 111.593 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--N 1.326 -0.416 0 N-CA-C 111.788 0.292 . . . . 61.0 111.788 -178.756 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 . . . . . 0 C--O 1.234 0.27 0 N-CA-C 111.822 0.304 . . . . 61.0 111.822 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.4 pt20 -150.7 148.07 28.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.07 -0.252 . . . . 61.0 111.135 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 m -129.81 158.56 42.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.515 . . . . 61.0 110.06 174.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -102.03 138.31 39.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.392 -0.367 . . . . 61.0 110.588 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -85.61 151.7 56.09 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.699 -0.482 . . . . 61.0 109.699 176.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.11 -16.78 49.9 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.51 2.14 . . . . 61.0 110.809 174.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.78 -22.02 50.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.812 -1.086 . . . . 61.0 110.942 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.78 -1.15 34.0 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.59 -0.814 . . . . 61.0 111.79 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.64 164.86 20.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.612 0.244 . . . . 61.0 111.111 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.2 t -115.2 130.25 70.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 110.216 -0.291 . . . . 61.0 110.216 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 59.8 tp -122.83 104.12 9.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.329 -0.396 . . . . 61.0 110.239 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 92.0 p -98.79 171.34 8.15 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.85 -0.426 . . . . 61.0 109.85 177.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' NH1' HG22 ' A' ' 50' ' ' ILE . 72.8 mtp85 -69.84 -4.82 21.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.049 0.452 . . . . 61.0 110.716 178.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.55 -2.35 28.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 61.0 110.596 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' HB2' HD12 ' A' ' 20' ' ' LEU . 7.1 m-20 -89.94 -12.1 39.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.482 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.2 mt -57.74 131.31 82.51 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.778 -0.647 . . . . 61.0 110.596 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.58 161.93 7.05 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.785 2.99 . . . . 61.0 112.824 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.486 ' HG2' ' HB ' ' A' ' 30' ' ' THR . 11.1 Cg_endo -54.09 134.05 58.22 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.048 2.499 . . . . 61.0 112.296 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' A' ' 58' ' ' ARG . 53.5 mt -61.25 -34.03 74.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.589 . . . . 61.0 111.427 -176.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.696 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 1.1 m-20 -101.06 32.19 3.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.469 -0.332 . . . . 61.0 111.452 -176.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.486 ' HB ' ' HG2' ' A' ' 27' ' ' PRO . 10.0 t -67.41 -44.45 78.77 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.17 -0.212 . . . . 61.0 111.466 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.696 ' NH1' ' HA ' ' A' ' 29' ' ' ASP . 9.4 mpt_? 65.75 -69.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.296 0.638 . . . . 61.0 112.113 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -77.72 82.14 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.478 0.656 . . . . 61.0 109.964 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -65.76 129.71 40.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.741 -1.118 . . . . 61.0 112.769 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.2 m -103.77 164.28 3.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.599 . . . . 61.0 109.533 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.57 -41.53 73.46 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.503 0.557 . . . . 61.0 112.503 -173.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 m -64.17 -44.8 90.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.363 -0.381 . . . . 61.0 111.606 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -70.72 -35.62 72.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.608 -0.269 . . . . 61.0 110.52 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.12 -44.56 97.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.999 0.428 . . . . 61.0 110.399 174.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.05 88.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.417 -0.81 . . . . 61.0 111.141 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.69 -44.22 85.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.47 -0.332 . . . . 61.0 111.315 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.4 t -67.11 -48.86 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.414 -0.357 . . . . 61.0 111.392 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.4 p -66.45 -37.13 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.718 -0.393 . . . . 61.0 110.945 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.39 -34.14 77.49 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 110.242 -0.281 . . . . 61.0 110.242 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.41 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -61.67 -46.42 89.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 61.0 110.691 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.516 HG22 HG13 ' A' ' 50' ' ' ILE . 58.2 t -74.24 -34.36 37.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.569 -0.287 . . . . 61.0 111.259 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.59 -42.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.496 0.189 . . . . 61.0 111.2 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -80.06 -11.61 59.75 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.962 -0.295 . . . . 61.0 111.036 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.68 21.17 34.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 61.0 113.027 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.411 HD22 ' HG ' ' A' ' 20' ' ' LEU . 50.5 tp -71.95 -42.15 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.543 . . . . 61.0 110.141 178.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.516 HG13 HG22 ' A' ' 45' ' ' VAL . 43.4 pt -138.29 166.61 23.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.33 -0.85 . . . . 61.0 109.925 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.548 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 1.8 t -91.07 159.16 16.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.129 0.49 . . . . 61.0 110.222 174.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.55 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 23.9 tt0 -58.87 -43.76 90.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.78 -0.645 . . . . 61.0 110.175 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -29.41 69.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 61.0 110.764 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.548 ' HB3' ' O ' ' A' ' 51' ' ' THR . 7.6 tp10 -58.73 -47.84 83.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.328 -0.619 . . . . 61.0 109.328 175.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.95 -48.77 62.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.42 -0.809 . . . . 61.0 111.173 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 85.3 mt -57.4 -40.11 77.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.063 -0.517 . . . . 61.0 111.701 -177.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -55.22 13.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.719 0.266 . . . . 61.0 111.719 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.532 ' HB2' HD22 ' A' ' 28' ' ' LEU . 12.6 ptp180 -66.34 -29.12 69.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.209 0.448 . . . . 61.0 112.209 -173.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -101.63 -1.08 33.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.908 -0.317 . . . . 61.0 111.6 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 t 58.1 39.65 25.93 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.313 0.577 . . . . 61.0 110.439 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.559 HD22 ' HG2' ' A' ' 65' ' ' GLU . 97.6 mt -94.15 168.63 10.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 61.0 111.225 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 m -112.6 159.19 19.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.313 -0.858 . . . . 61.0 109.608 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -57.15 -41.59 79.42 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.08 -0.509 . . . . 61.0 111.365 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.594 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.7 pt-20 -57.06 -38.27 73.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.19 -0.459 . . . . 61.0 111.586 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.559 ' HG2' HD22 ' A' ' 61' ' ' LEU . 14.4 tp10 -65.22 -54.65 26.26 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.544 -0.539 . . . . 61.0 109.544 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -60.95 -38.36 85.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.767 -0.652 . . . . 61.0 110.79 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.485 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . . . -56.9 -38.23 72.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 61.0 110.988 176.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 97.4 mt -67.94 -44.56 76.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.322 -0.399 . . . . 61.0 110.285 179.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.6 m0 -54.53 -51.17 65.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.799 -0.637 . . . . 61.0 110.623 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.485 ' NE ' ' HA ' ' A' ' 67' ' ' ALA . 8.8 ptt180 -68.5 -31.05 70.05 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.017 -0.273 . . . . 61.0 111.499 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.0 m -65.46 -32.33 73.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.939 0.4 . . . . 61.0 110.625 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.3 -47.88 8.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.289 -0.414 . . . . 61.0 112.006 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.0 t . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 112.378 0.51 . . . . 61.0 112.378 -173.245 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 120.718 0.294 . . . . 61.0 110.683 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 8.7 pt20 -141.63 142.6 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 61.0 110.825 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.45 148.85 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.968 -0.56 . . . . 61.0 110.112 174.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.0 m -89.56 130.34 35.89 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.175 0.512 . . . . 61.0 110.886 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.668 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -78.84 143.93 63.23 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.706 -0.849 . . . . 61.0 108.706 172.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD3' ' NE2' ' A' ' 47' ' ' HIS . 55.5 Cg_endo -73.57 -4.82 16.07 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.12 1.88 . . . . 61.0 109.284 173.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.59 -10.07 59.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 113.806 -1.543 . . . . 61.0 108.854 173.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.78 47.99 5.39 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.665 -0.698 . . . . 61.0 111.873 -177.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -143.04 166.33 24.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.922 -0.399 . . . . 61.0 109.922 -175.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.1 t -111.57 127.81 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.683 0.278 . . . . 61.0 110.683 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.668 ' HB2' HD21 ' A' ' 14' ' ' LEU . 57.1 tp -116.73 108.47 15.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.766 -0.457 . . . . 61.0 109.766 177.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 23.0 p -99.56 163.26 12.58 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.92 -0.582 . . . . 61.0 110.614 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.423 ' HG3' HD11 ' A' ' 49' ' ' LEU . 91.9 mtt180 -65.21 -27.12 68.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.352 -0.385 . . . . 61.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.64 -8.1 59.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.195 -0.457 . . . . 61.0 110.893 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.0 -9.03 41.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.11 0.481 . . . . 61.0 110.361 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.47 153.19 61.82 Favored Pre-proline 0 C--O 1.236 0.374 0 CA-C-N 115.708 -0.678 . . . . 61.0 110.891 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.1 148.21 74.83 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.536 2.157 . . . . 61.0 111.814 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.24 158.59 51.49 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.879 2.386 . . . . 61.0 112.717 -176.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.11 -10.38 59.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.259 0.552 . . . . 61.0 110.756 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.17 -3.57 46.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.607 0.718 . . . . 61.0 110.149 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.8 m -86.66 92.43 8.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.801 -0.636 . . . . 61.0 112.223 -176.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -99.48 -24.05 14.9 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.541 -1.281 . . . . 61.0 107.541 161.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HG2' ' H ' ' A' ' 32' ' ' ARG . 14.7 ptt180 -72.19 70.86 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 113.867 -1.515 . . . . 61.0 109.731 168.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.95 109.01 9.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.258 -0.883 . . . . 61.0 111.893 -175.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.3 m -88.82 163.18 2.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.697 -0.683 . . . . 61.0 109.918 172.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.05 71.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.451 0.537 . . . . 61.0 112.451 -173.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 m -66.71 -36.33 82.23 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.957 0.354 . . . . 61.0 111.957 -176.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' O ' HG23 ' A' ' 41' ' ' VAL . 93.4 mtt180 -69.89 -35.97 75.06 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.067 -0.253 . . . . 61.0 110.472 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -65.17 -42.68 93.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.99 0.424 . . . . 61.0 110.106 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.65 -39.2 93.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 61.0 111.265 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.44 98.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.75 0.309 . . . . 61.0 111.061 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 37' ' ' ARG . 90.1 t -67.4 -46.73 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 61.0 111.388 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.541 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.9 p -65.51 -39.06 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.899 -0.32 . . . . 61.0 111.085 -177.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.534 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.1 mttt -68.83 -32.99 73.08 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 109.941 -0.392 . . . . 61.0 109.941 177.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -60.73 -44.76 96.24 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 61.0 110.922 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.1 t -69.35 -42.48 81.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.251 -0.431 . . . . 61.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.3 mt -71.69 -29.12 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.962 -0.563 . . . . 61.0 111.822 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.427 ' NE2' ' HD3' ' A' ' 15' ' ' PRO . 35.7 m80 -89.36 -5.01 57.84 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.966 -0.459 . . . . 61.0 111.467 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.07 27.35 37.56 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.464 -0.874 . . . . 61.0 112.919 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD22 ' HG ' ' A' ' 20' ' ' LEU . 47.5 tp -80.11 -47.49 14.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.632 0.73 . . . . 61.0 109.296 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.7 pt -130.2 -179.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.728 -1.124 . . . . 61.0 108.575 175.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.564 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 2.8 t -106.32 158.11 17.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.03 0.443 . . . . 61.0 110.845 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.0 tt0 -62.9 -38.55 91.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.788 -0.642 . . . . 61.0 110.41 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -63.82 -37.74 88.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.309 -0.859 . . . . 61.0 109.155 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.564 ' HB3' ' O ' ' A' ' 51' ' ' THR . 6.8 tp10 -59.42 -49.82 76.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.378 -0.828 . . . . 61.0 110.5 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.41 92.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 61.0 111.274 -176.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 21.6 mt -71.04 -31.87 68.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.185 -0.461 . . . . 61.0 110.94 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -80.77 -50.16 10.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.399 -0.364 . . . . 61.0 111.403 -175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 10.1 ptm85 -66.2 -38.25 87.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.504 -0.316 . . . . 61.0 111.823 -175.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.429 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 44.1 m-85 -97.09 -0.89 46.36 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.068 -0.253 . . . . 61.0 111.251 -177.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.1 t 61.17 34.78 18.74 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.112 -0.495 . . . . 61.0 110.574 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 95.8 mt -80.4 -177.74 6.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.726 -0.67 . . . . 61.0 111.414 -176.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -124.53 156.93 36.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.639 -0.709 . . . . 61.0 110.064 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -57.22 -44.85 84.14 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.603 -0.726 . . . . 61.0 110.7 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 7.7 pt-20 -62.26 -36.98 83.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.469 -0.787 . . . . 61.0 111.702 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -66.92 -54.89 17.6 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.824 -0.436 . . . . 61.0 109.824 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -61.93 -31.43 71.74 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.433 -0.349 . . . . 61.0 110.769 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.52 83.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.902 0.382 . . . . 61.0 110.513 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 93.6 mt -68.71 -42.56 77.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 61.0 110.146 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -54.3 -52.55 61.13 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.028 -0.533 . . . . 61.0 110.664 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.541 ' HA ' HG21 ' A' ' 42' ' ' VAL . 6.2 ptm180 -69.67 -24.53 63.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.868 -0.605 . . . . 61.0 111.255 -174.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.3 m -80.99 -29.39 35.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.871 0.367 . . . . 61.0 110.83 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.12 -16.92 44.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.434 -0.348 . . . . 61.0 111.454 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.732 0.301 . . . . 61.0 111.785 -178.491 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 121.045 0.45 . . . . 61.0 110.108 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.1 pt20 -150.75 141.25 22.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.645 -0.707 . . . . 61.0 110.911 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 20' ' ' LEU . 17.4 m -128.35 170.97 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.714 -0.675 . . . . 61.0 109.634 174.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 m -109.61 134.94 51.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.743 0.306 . . . . 61.0 111.164 -176.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.656 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.3 mm? -78.61 154.63 78.7 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.437 -0.579 . . . . 61.0 109.437 174.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.69 -9.98 27.27 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.406 2.071 . . . . 61.0 112.257 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -88.99 -25.65 21.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.796 -0.638 . . . . 61.0 110.251 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.94 -8.87 9.14 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.787 -0.642 . . . . 61.0 112.093 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.581 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.3 m -73.77 164.18 26.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.638 0.256 . . . . 61.0 111.037 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.0 t -108.69 137.25 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 110.017 -0.364 . . . . 61.0 110.017 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.656 ' HB2' HD21 ' A' ' 14' ' ' LEU . 66.9 tp -122.3 103.5 8.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.034 -0.358 . . . . 61.0 110.034 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.537 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 99.0 p -96.94 168.97 10.15 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.85 -0.426 . . . . 61.0 109.85 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.552 ' NH1' HG22 ' A' ' 50' ' ' ILE . 50.9 mtp85 -72.6 -5.78 39.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.072 0.463 . . . . 61.0 110.387 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.35 -15.37 38.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 61.0 109.877 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -82.2 -22.17 36.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 61.0 110.315 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -58.48 128.73 83.4 Favored Pre-proline 0 C--O 1.233 0.218 0 CA-C-N 115.801 -0.636 . . . . 61.0 110.7 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.67 154.97 56.55 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.096 2.53 . . . . 61.0 112.433 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 31.7 Cg_endo -63.72 164.12 22.4 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.836 2.357 . . . . 61.0 112.929 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.2 mt -83.62 -9.12 59.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.838 -0.619 . . . . 61.0 111.087 -174.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.91 0.46 57.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.124 -0.489 . . . . 61.0 110.969 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 87.6 m -78.82 109.66 13.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.474 -0.33 . . . . 61.0 111.301 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -105.31 -28.78 10.7 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.808 -0.442 . . . . 61.0 109.808 170.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -76.18 76.83 3.0 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.994 -0.743 . . . . 61.0 108.994 172.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -72.47 107.23 4.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.073 -0.967 . . . . 61.0 111.85 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.8 m -89.75 159.96 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.571 -0.74 . . . . 61.0 109.575 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.98 -40.97 70.62 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.349 0.406 . . . . 61.0 111.987 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.0 m -63.98 -35.44 80.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 61.0 111.585 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.8 mtt180 -80.76 -34.97 33.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.607 0.241 . . . . 61.0 110.573 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.86 -43.52 98.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.028 0.442 . . . . 61.0 110.156 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HB1' ' HE3' ' A' ' 43' ' ' LYS . . . -58.66 -49.66 76.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.376 -0.829 . . . . 61.0 111.269 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.54 73.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.685 0.279 . . . . 61.0 111.475 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 37' ' ' ARG . 84.2 t -70.18 -53.41 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 61.0 111.292 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.97 -39.08 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.337 -0.392 . . . . 61.0 111.12 -176.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HE3' ' HB1' ' A' ' 39' ' ' ALA . 98.4 mttt -66.59 -31.05 71.5 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.704 0.287 . . . . 61.0 110.396 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.52 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 61.0 110.3 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 65.2 t -62.97 -45.23 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.934 -0.575 . . . . 61.0 110.46 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.33 -29.84 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 115.632 -0.713 . . . . 61.0 112.026 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -98.48 -7.53 28.3 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.916 -0.314 . . . . 61.0 111.77 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.9 10.05 67.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.514 -0.85 . . . . 61.0 112.812 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.3 tp -63.49 -45.5 90.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.689 0.757 . . . . 61.0 108.987 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.552 HG22 ' NH1' ' A' ' 22' ' ' ARG . 29.9 pt -132.79 171.03 18.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.687 -1.142 . . . . 61.0 108.085 172.05 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.496 HG23 ' H ' ' A' ' 54' ' ' GLU . 5.1 t -104.78 157.37 17.25 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.503 -0.479 . . . . 61.0 110.027 176.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.3 tt0 -56.58 -40.18 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.396 0.617 . . . . 61.0 110.245 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.51 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -64.67 -32.37 74.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.204 -0.907 . . . . 61.0 109.835 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 60.9 tt0 -73.77 -37.71 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.881 -0.6 . . . . 61.0 110.155 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.77 -46.28 79.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.888 0.375 . . . . 61.0 110.346 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.535 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 52.0 mt -62.49 -34.79 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 61.0 109.893 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.8 -60.44 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.18 -0.918 . . . . 61.0 111.617 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 9.4 ptm180 -69.42 -28.66 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.86 0.689 . . . . 61.0 112.86 -172.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -107.57 5.91 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.57 -0.452 . . . . 61.0 111.972 -176.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.7 m 53.89 51.67 14.37 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.434 0.635 . . . . 61.0 110.473 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.546 HD22 ' HG2' ' A' ' 65' ' ' GLU . 97.5 mt -106.73 150.96 25.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.562 -0.745 . . . . 61.0 111.078 -176.206 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.467 ' HB2' ' HG2' ' A' ' 64' ' ' GLU . 31.6 m -104.76 162.43 13.31 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.359 -0.837 . . . . 61.0 109.098 172.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.99 -34.67 73.63 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.426 -0.352 . . . . 61.0 110.994 -177.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.467 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 11.1 pt-20 -53.37 -32.56 49.93 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.033 -0.531 . . . . 61.0 111.409 176.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HG2' HD22 ' A' ' 61' ' ' LEU . 20.0 tp10 -82.81 -57.21 3.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.242 0.544 . . . . 61.0 109.829 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.21 -34.35 73.52 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.649 -0.705 . . . . 61.0 111.511 -174.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.89 90.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.539 -0.3 . . . . 61.0 110.701 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.26 -40.96 81.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 61.0 110.25 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.424 ' NE1' ' HG3' ' A' ' 65' ' ' GLU . 25.1 m0 -54.95 -50.7 68.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.099 -0.5 . . . . 61.0 110.817 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -72.15 -25.07 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.997 -0.281 . . . . 61.0 111.756 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.8 m -75.39 -26.35 58.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.944 0.402 . . . . 61.0 110.435 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.32 -48.19 7.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.348 -0.387 . . . . 61.0 111.62 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.484 -0.326 . . . . 61.0 111.769 -174.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.62 0.248 . . . . 61.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.602 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.8 pt20 -154.92 146.58 23.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.908 0.385 . . . . 61.0 111.581 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.16 168.68 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.689 -0.687 . . . . 61.0 110.695 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -105.86 139.33 40.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.26 -0.427 . . . . 61.0 110.851 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.656 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.3 mm? -89.29 146.92 37.09 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.14 -0.482 . . . . 61.0 109.941 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.21 -11.36 30.95 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.641 2.227 . . . . 61.0 110.542 172.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.1 -8.49 59.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.941 -1.027 . . . . 61.0 109.914 177.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.3 41.61 7.36 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.837 -0.619 . . . . 61.0 111.994 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -132.02 167.46 19.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.699 -0.482 . . . . 61.0 109.699 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.2 t -113.22 131.6 64.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.191 -0.3 . . . . 61.0 110.191 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.626 ' HB2' HD21 ' A' ' 14' ' ' LEU . 44.0 tp -123.23 103.29 8.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.889 0.376 . . . . 61.0 110.36 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.602 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 3.2 m -91.73 165.47 13.27 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.982 -0.554 . . . . 61.0 109.576 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -64.8 -16.59 63.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.115 0.483 . . . . 61.0 110.614 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.65 -4.64 37.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.823 -0.626 . . . . 61.0 111.282 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -93.24 -0.36 56.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.254 0.549 . . . . 61.0 110.409 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.543 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 77.2 mt -67.7 156.74 88.31 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.467 -0.788 . . . . 61.0 110.561 177.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.75 155.66 36.5 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.784 2.322 . . . . 61.0 111.735 176.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.578 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 18.8 Cg_endo -57.36 147.03 79.94 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.862 2.375 . . . . 61.0 112.508 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 58' ' ' ARG . 94.0 mt -65.29 -24.71 67.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 61.0 111.512 -176.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.621 ' HA ' ' NH2' ' A' ' 31' ' ' ARG . 28.5 t70 -93.61 25.58 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.542 0.687 . . . . 61.0 110.738 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.578 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 88.7 m -81.49 104.56 12.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.17 -0.468 . . . . 61.0 109.901 173.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.621 ' NH2' ' HA ' ' A' ' 29' ' ' ASP . 2.1 tpp180 -110.19 161.18 15.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.033 -0.728 . . . . 61.0 109.033 175.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 4.1 tmt_? 75.63 -53.58 0.64 Allowed 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.667 0.605 . . . . 61.0 109.655 -177.077 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.4 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 86.8 m95 74.43 156.73 0.18 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 122.058 0.932 . . . . 61.0 113.275 172.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 32.3 m -134.63 164.71 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.621 -1.172 . . . . 61.0 108.661 173.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.59 82.31 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.278 0.473 . . . . 61.0 112.278 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -59.87 -40.34 88.29 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.979 0.362 . . . . 61.0 111.979 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -74.63 -36.27 62.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 61.0 110.354 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 34' ' ' VAL . 98.7 mttt -62.48 -43.56 98.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.97 -0.559 . . . . 61.0 110.187 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -58.63 -40.94 84.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.554 -0.748 . . . . 61.0 111.1 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.18 90.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 61.0 111.024 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.8 t -71.4 -47.54 58.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 61.0 111.191 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.572 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -68.12 -36.93 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.622 -0.263 . . . . 61.0 111.129 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.656 ' HD3' HD12 ' A' ' 14' ' ' LEU . 95.5 mttt -63.05 -37.21 86.29 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.091 -0.337 . . . . 61.0 110.091 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -59.03 -46.85 87.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 61.0 111.012 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.681 HG11 ' HG3' ' A' ' 52' ' ' GLU . 58.3 t -69.91 -43.87 79.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.514 -0.312 . . . . 61.0 111.354 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.21 -27.26 38.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.307 -0.406 . . . . 61.0 111.7 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -87.9 -7.95 56.46 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.73 -0.388 . . . . 61.0 111.175 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.93 9.98 61.83 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.62 -0.8 . . . . 61.0 112.756 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.47 HD22 ' HG ' ' A' ' 20' ' ' LEU . 49.5 tp -67.53 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.089 0.471 . . . . 61.0 110.371 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 31.6 pt -120.32 160.62 20.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.868 -0.606 . . . . 61.0 110.078 179.336 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.458 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 2.0 t -88.11 154.64 20.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.079 -0.51 . . . . 61.0 110.661 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.681 ' HG3' HG11 ' A' ' 45' ' ' VAL . 3.3 mt-10 -52.54 -42.96 64.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.851 -0.613 . . . . 61.0 110.871 176.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -64.1 -28.41 69.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.612 -0.722 . . . . 61.0 110.823 -177.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' A' ' 51' ' ' THR . 7.1 tp10 -68.18 -52.56 33.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 61.0 109.658 175.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.13 -44.27 92.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.887 -0.597 . . . . 61.0 111.406 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.575 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 41.2 mt -66.01 -33.58 76.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.94 -0.573 . . . . 61.0 111.049 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -78.34 -50.49 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.179 -0.464 . . . . 61.0 111.482 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HB2' HD22 ' A' ' 28' ' ' LEU . 10.7 ptm85 -71.39 -32.46 68.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.664 -0.698 . . . . 61.0 112.131 -172.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.543 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 41.4 m-85 -103.28 -2.07 27.76 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.744 -0.382 . . . . 61.0 111.734 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.5 m 60.77 71.51 0.56 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.516 0.674 . . . . 61.0 110.203 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 73.9 mt -127.26 152.92 46.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.379 -0.828 . . . . 61.0 110.502 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -97.7 161.91 13.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 61.0 109.52 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -58.11 -44.97 87.99 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.118 0.485 . . . . 61.0 110.545 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 9.9 pt-20 -61.16 -25.89 67.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.47 -0.786 . . . . 61.0 111.538 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.532 ' HG2' HD22 ' A' ' 61' ' ' LEU . 13.8 tp10 -70.19 -57.32 5.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.25 0.548 . . . . 61.0 109.529 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.75 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.79 -0.641 . . . . 61.0 110.597 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.23 -40.34 85.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.899 0.381 . . . . 61.0 110.589 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 96.9 mt -68.26 -45.36 73.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.968 -0.56 . . . . 61.0 110.237 177.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 25.3 m0 -54.94 -52.09 64.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.175 -0.466 . . . . 61.0 110.954 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.572 ' HA ' HG21 ' A' ' 42' ' ' VAL . 10.4 ptm180 -69.12 -22.58 63.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 61.0 111.537 -175.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.7 m -80.47 -42.86 21.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.699 0.285 . . . . 61.0 110.514 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.34 77.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 61.0 111.478 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.448 HG21 HG11 ' A' ' 42' ' ' VAL . 99.0 t . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.091 -0.504 . . . . 61.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 22' ' ' ARG . 12.5 ptm180 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.523 -0.547 . . . . 61.0 109.523 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.616 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.5 pt20 -154.73 135.84 13.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 61.0 110.729 175.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.6 m -119.9 147.5 23.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.77 -0.65 . . . . 61.0 110.343 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.6 m -90.75 122.38 33.45 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.281 -0.418 . . . . 61.0 110.634 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -64.27 155.96 77.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.631 -0.507 . . . . 61.0 109.631 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.68 -22.95 63.5 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.298 1.999 . . . . 61.0 111.918 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -70.12 -37.74 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.541 -0.754 . . . . 61.0 110.261 175.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.0 1.65 16.68 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.879 -0.888 . . . . 61.0 110.879 -170.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -75.05 165.36 25.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.606 0.362 . . . . 61.0 110.375 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.7 t -113.08 123.78 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.922 0.391 . . . . 61.0 110.944 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.644 ' HB2' HD21 ' A' ' 14' ' ' LEU . 52.5 tp -116.43 100.17 7.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.839 -0.619 . . . . 61.0 109.522 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.616 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 85.2 p -98.82 171.94 7.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.142 -0.481 . . . . 61.0 110.651 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 10' ' ' ARG . 52.4 mtt-85 -72.11 -1.93 16.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.895 -0.593 . . . . 61.0 110.367 175.02 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.05 -6.33 26.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.448 -0.796 . . . . 61.0 109.917 172.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' HB2' HD12 ' A' ' 20' ' ' LEU . 16.6 m-20 -93.75 -19.27 21.22 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.911 -0.586 . . . . 61.0 109.737 175.315 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.4 mt -55.17 132.88 68.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.703 -0.68 . . . . 61.0 110.064 173.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.36 147.22 95.29 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.294 1.996 . . . . 61.0 111.463 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.0 153.76 76.79 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.523 2.148 . . . . 61.0 112.267 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.54 -13.98 61.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.07 0.462 . . . . 61.0 110.343 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.75 -12.76 61.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.414 -0.812 . . . . 61.0 110.607 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.2 m -84.94 100.12 11.42 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.179 0.514 . . . . 61.0 111.24 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 14.0 tpt180 -104.23 -24.07 13.17 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.815 -0.63 . . . . 61.0 109.363 170.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 32' ' ' ARG . 1.7 ptt180 -80.67 71.21 7.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 122.045 0.926 . . . . 61.0 109.433 174.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -63.74 124.8 22.4 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.99 -1.005 . . . . 61.0 112.233 -175.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -106.57 169.83 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.24 -0.891 . . . . 61.0 109.208 172.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.67 76.61 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.026 0.38 . . . . 61.0 112.026 -175.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.4 t -59.67 -45.05 93.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.454 -0.339 . . . . 61.0 111.877 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -71.11 -35.36 71.75 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.829 -0.348 . . . . 61.0 110.697 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.18 -46.25 81.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.017 0.437 . . . . 61.0 110.246 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.0 81.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.327 -0.851 . . . . 61.0 111.246 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.48 -44.56 84.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.339 -0.391 . . . . 61.0 111.067 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.26 -51.11 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.498 -0.319 . . . . 61.0 111.636 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.42 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.7 p -66.32 -39.97 85.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 121.062 -0.255 . . . . 61.0 110.997 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -63.14 -33.43 75.45 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 110.064 -0.347 . . . . 61.0 110.064 176.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.421 ' HB1' HD23 ' A' ' 49' ' ' LEU . . . -62.49 -45.44 93.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 61.0 110.86 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 59.5 t -70.6 -41.38 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.235 -0.439 . . . . 61.0 110.743 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.56 -38.36 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.831 -0.622 . . . . 61.0 111.454 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -82.24 -25.06 34.46 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.033 -0.267 . . . . 61.0 111.503 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.51 5.13 30.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.341 -0.933 . . . . 61.0 113.091 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.531 HD22 ' HG ' ' A' ' 20' ' ' LEU . 44.1 tp -56.97 -57.47 12.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.306 0.574 . . . . 61.0 109.743 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 33.7 pt -126.03 162.69 29.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.47 -0.786 . . . . 61.0 109.296 176.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 54' ' ' GLU . 4.7 t -87.94 156.21 19.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.405 0.622 . . . . 61.0 110.515 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.506 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.7 tt0 -55.8 -42.74 76.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.21 -0.904 . . . . 61.0 110.412 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -68.24 -26.67 65.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.69 -0.687 . . . . 61.0 110.908 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 10.6 tp10 -67.63 -45.27 75.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.601 -0.518 . . . . 61.0 109.601 177.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.46 -46.77 75.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.857 -0.61 . . . . 61.0 110.64 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.523 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 68.6 mt -61.54 -32.83 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 61.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -72.93 -58.23 3.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.901 -0.59 . . . . 61.0 111.191 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.2 ptp180 -69.36 -40.97 77.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.098 -0.501 . . . . 61.0 111.993 -173.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -88.39 -0.42 57.16 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.841 -0.343 . . . . 61.0 111.3 -175.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 t 54.81 64.79 1.69 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.645 0.736 . . . . 61.0 109.657 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.523 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 91.1 mt -117.38 163.92 15.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.196 -0.911 . . . . 61.0 110.401 -178.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -114.26 162.61 16.35 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.785 -0.643 . . . . 61.0 109.619 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -62.84 -36.36 82.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.433 0.16 . . . . 61.0 111.433 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 12.9 pt-20 -60.22 -35.9 76.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 61.0 110.34 175.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.436 ' HG2' HD22 ' A' ' 61' ' ' LEU . 11.5 tp10 -71.56 -55.18 8.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.878 -0.601 . . . . 61.0 110.041 -179.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.429 ' HB2' HD21 ' A' ' 56' ' ' LEU . 59.0 t80 -62.71 -34.04 76.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 61.0 110.824 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.8 73.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.953 0.406 . . . . 61.0 110.541 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 94.2 mt -74.26 -37.67 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 61.0 109.93 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -58.81 -53.61 56.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.424 -0.353 . . . . 61.0 111.038 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.42 ' HA ' HG21 ' A' ' 42' ' ' VAL . 12.3 ptm180 -63.02 -32.26 73.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.662 -0.244 . . . . 61.0 111.346 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -76.64 -28.6 56.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.735 0.302 . . . . 61.0 111.591 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.11 -23.51 19.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.929 0.344 . . . . 61.0 111.929 -177.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.583 0.23 . . . . 61.0 111.333 -179.643 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 121.218 0.533 . . . . 99.989999999999995 109.798 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.564 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.7 pt20 -147.03 150.07 34.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.503 -0.771 . . . . 61.0 110.457 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.89 174.46 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.008 -0.542 . . . . 1.1200000000000001 109.839 172.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 m -117.46 143.34 46.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.177 0.513 . . . . 3.4300000000000002 111.01 -175.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -93.95 146.94 32.6 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.08 -0.509 . . . . 4.3899999999999997 109.691 176.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.79 -9.07 15.08 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.566 2.177 . . . . 99.989999999999995 111.007 172.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.32 -17.46 54.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.68 -1.145 . . . . 82.609999999999999 110.447 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.0 3.84 56.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.928 -0.654 . . . . 11.6 111.887 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 19' ' ' VAL . 25.0 m -98.57 166.62 11.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.67 -0.265 . . . . 7.4299999999999997 110.354 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.427 ' N ' HG22 ' A' ' 18' ' ' THR . 57.8 t -115.05 133.91 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.98 0.419 . . . . 3.0699999999999998 110.638 -177.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.611 ' HB2' HD21 ' A' ' 14' ' ' LEU . 57.8 tp -119.56 105.05 10.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.102 -0.499 . . . . 1.6200000000000001 110.229 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.564 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 67.5 p -100.48 169.42 9.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.205 -0.452 . . . . 61.0 109.856 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' CZ ' HG22 ' A' ' 50' ' ' ILE . 43.9 mtt-85 -70.94 -22.59 62.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.924 0.393 . . . . 49.810000000000002 111.237 -178.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.54 -14.27 43.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.26 -0.427 . . . . 5.9900000000000002 110.648 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -82.95 -22.31 33.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 61.0 110.467 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 mt -49.47 145.52 7.76 Favored Pre-proline 0 N--CA 1.465 0.288 0 CA-C-N 115.664 -0.698 . . . . 1.5900000000000001 111.438 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.66 158.83 18.7 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.205 2.603 . . . . 61.0 112.383 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.67 158.84 55.37 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.551 2.167 . . . . 3.4900000000000002 112.581 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.1 mt -84.09 -4.35 58.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.398 0.618 . . . . 6.5999999999999996 109.742 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.04 -19.5 47.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.329 -0.851 . . . . 76.959999999999994 111.425 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.2 m -72.83 117.85 15.04 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.16 -0.473 . . . . 12.33 111.878 -176.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -110.53 -42.93 3.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.954 -0.758 . . . . 99.989999999999995 108.954 171.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -80.19 78.61 6.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.82 -0.807 . . . . 99.989999999999995 108.82 173.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.7 m95 -64.45 150.94 45.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.083 -0.962 . . . . 5.29 112.604 -176.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.4 m -123.22 161.52 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.008 -0.996 . . . . 4.2000000000000002 108.856 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.23 75.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.354 0.502 . . . . 2.4399999999999999 112.354 -172.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 m -60.09 -41.57 92.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.332 . . . . 17.440000000000001 111.444 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -74.35 -36.52 63.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.767 0.318 . . . . 61.0 110.487 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -61.72 -44.65 96.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.534 . . . . 3.9500000000000002 110.381 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.64 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.533 -0.758 . . . . 0.79000000000000004 111.1 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.94 -47.67 82.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.3 -0.409 . . . . 0.94999999999999996 111.169 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.35 -50.76 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.274 -0.421 . . . . 0.51000000000000001 111.439 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.53 HG21 ' HA ' ' A' ' 70' ' ' ARG . 12.4 p -67.64 -37.43 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.318 -0.401 . . . . 0.65000000000000002 111.316 -175.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.9 -30.75 70.17 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.642 0.258 . . . . 9.1500000000000004 110.536 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -62.56 -43.36 98.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.46000000000000002 110.107 177.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 62.4 t -70.75 -41.93 77.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 0.82999999999999996 111.034 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.48 -33.41 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.328 -0.397 . . . . 61.0 111.477 -177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -86.32 -6.35 58.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 2.0899999999999999 111.327 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.41 26.16 52.26 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.684 -0.77 . . . . 2.5600000000000001 112.579 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.2 tp -76.3 -55.34 5.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.596 0.712 . . . . 61.0 109.181 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.476 HG22 ' CZ ' ' A' ' 22' ' ' ARG . 33.6 pt -121.89 164.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.798 -1.092 . . . . 0.95999999999999996 108.518 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 54' ' ' GLU . 8.9 t -93.71 152.06 19.22 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 119.991 -0.684 . . . . 61.0 109.858 176.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.0 tt0 -51.55 -42.71 62.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.257 0.551 . . . . 23.170000000000002 110.871 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.455 ' HA ' HD12 ' A' ' 56' ' ' LEU . 13.0 mmm180 -69.64 -25.74 64.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.4 -0.818 . . . . 99.989999999999995 110.436 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 79.1 tt0 -72.96 -41.39 64.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.685 . . . . 37.359999999999999 109.643 178.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.48 92.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.796 -0.638 . . . . 1.04 110.313 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 67.8 mt -59.41 -38.39 80.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.674 -0.694 . . . . 1.54 110.778 177.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.83 -57.5 4.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 41.530000000000001 111.651 -177.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 10.3 ptp180 -69.57 -36.69 76.53 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.14 0.422 . . . . 42.979999999999997 112.14 -172.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -92.87 -2.08 56.18 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.967 -0.293 . . . . 2.2599999999999998 111.154 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.3 t 55.83 67.14 1.05 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.683 0.614 . . . . 18.75 110.069 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.491 HD22 ' HG2' ' A' ' 65' ' ' GLU . 84.0 mt -125.39 148.31 48.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.523 -0.762 . . . . 3.0 110.145 -178.384 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.4 m -96.44 164.02 12.81 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.793 -0.447 . . . . 3.2599999999999998 109.793 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.66 -36.95 84.51 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.455 0.169 . . . . 40.850000000000001 111.089 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 10.8 pt-20 -58.56 -21.69 53.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.492 -0.322 . . . . 35.079999999999998 111.063 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.491 ' HG2' HD22 ' A' ' 61' ' ' LEU . 10.6 tp10 -85.91 -60.77 1.92 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 21.57 109.815 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.16 -35.2 74.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.759 -0.655 . . . . 19.800000000000001 111.653 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.34 72.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.568 -0.287 . . . . 61.0 110.582 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 80.2 mt -74.94 -40.25 60.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.369 -0.378 . . . . 2.7400000000000002 110.12 176.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -54.15 -53.14 57.47 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.98 -0.555 . . . . 1.1499999999999999 110.736 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.53 ' HA ' HG21 ' A' ' 42' ' ' VAL . 15.5 ptm180 -66.08 -32.2 73.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 69.280000000000001 111.222 -178.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.8 m -71.99 -28.86 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 16.210000000000001 111.474 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.82 -40.58 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.242 0.46 . . . . 8.7699999999999996 112.242 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.3 t . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 111.981 0.363 . . . . 6.7300000000000004 111.981 -175.199 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 110.099 -0.334 . . . . 61.0 110.099 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -125.51 118.92 26.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.074 -0.343 . . . . 61.0 110.074 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.2 tt 72.62 -58.18 0.6 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.145 0.903 . . . . 61.0 110.654 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -86.19 82.73 7.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.931 0.396 . . . . 61.0 111.429 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -130.97 97.89 4.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.142 0.496 . . . . 61.0 110.059 171.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.0 t -91.37 87.52 2.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.45 -0.574 . . . . 61.0 109.45 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -89.05 -177.64 5.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 61.0 109.714 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 48' ' ' GLY . . . 109.54 179.87 20.98 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.948 -0.644 . . . . 61.0 111.522 -176.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.23 159.5 47.06 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.728 2.285 . . . . 61.0 112.306 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -71.71 -27.27 62.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.359 0.599 . . . . 61.0 109.79 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.577 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.5 pt20 -147.38 130.85 16.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.466 -0.788 . . . . 61.0 110.185 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.4 m -109.54 167.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.84 -0.618 . . . . 61.0 110.415 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.4 m -107.11 145.15 32.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.506 -0.315 . . . . 61.0 110.281 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.757 HD21 ' HB2' ' A' ' 20' ' ' LEU . 2.9 mm? -98.32 156.8 35.38 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.899 -0.408 . . . . 61.0 109.899 177.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.78 -16.02 41.29 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.037 1.825 . . . . 61.0 110.293 174.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.1 -25.05 63.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.616 -1.175 . . . . 61.0 110.431 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.14 2.03 51.4 Favored Glycine 0 N--CA 1.453 -0.175 0 N-CA-C 111.098 -0.801 . . . . 61.0 111.098 -173.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.513 ' HB ' HD23 ' A' ' 14' ' ' LEU . 6.4 m -86.04 164.38 17.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.086 -0.557 . . . . 61.0 110.498 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.7 t -111.1 132.69 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.589 -0.522 . . . . 61.0 109.589 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.757 ' HB2' HD21 ' A' ' 14' ' ' LEU . 61.4 tp -119.09 96.86 5.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.97 0.414 . . . . 61.0 110.026 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.577 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.6 p -87.99 173.1 9.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.142 -0.481 . . . . 61.0 109.972 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.422 ' HG3' HD11 ' A' ' 49' ' ' LEU . 78.2 mtt180 -75.36 -1.26 22.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.265 0.555 . . . . 61.0 110.1 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.38 -14.12 17.72 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.489 -0.778 . . . . 61.0 110.598 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' CB ' HD12 ' A' ' 20' ' ' LEU . 3.0 m-20 -78.99 -17.0 56.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.202 -0.453 . . . . 61.0 111.168 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.9 mt -54.19 137.21 58.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 61.0 111.06 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.16 157.63 33.99 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.23 2.62 . . . . 61.0 111.956 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.481 ' O ' HG22 ' A' ' 30' ' ' THR . 32.3 Cg_exo -58.6 152.33 56.44 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.76 2.307 . . . . 61.0 112.385 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -80.91 -24.4 38.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.193 -0.458 . . . . 61.0 110.341 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -80.78 -15.68 55.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.683 -0.689 . . . . 61.0 111.329 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 27' ' ' PRO . 3.7 t -72.9 137.68 45.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.248 0.546 . . . . 61.0 110.422 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -124.99 -23.51 4.23 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.279 0.561 . . . . 61.0 109.596 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -74.27 80.47 1.83 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.733 0.777 . . . . 61.0 109.05 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -78.92 97.75 6.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.065 -0.971 . . . . 61.0 112.167 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.9 m -78.56 165.84 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.621 -0.718 . . . . 61.0 109.973 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.02 77.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.041 0.386 . . . . 61.0 112.041 -175.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.5 m -64.54 -34.98 79.51 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.007 0.373 . . . . 61.0 112.007 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -71.86 -39.45 69.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 61.0 110.431 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -64.02 -41.58 97.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.059 -0.519 . . . . 61.0 109.974 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.7 -45.75 91.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.635 -0.711 . . . . 61.0 111.206 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.01 81.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 61.0 111.317 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.14 -49.38 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 61.0 111.39 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.543 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.6 p -67.93 -38.84 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.888 -0.325 . . . . 61.0 111.212 -176.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.8 mttt -62.93 -33.99 76.52 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.729 0.299 . . . . 61.0 110.233 177.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.31 -47.42 86.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 61.0 110.675 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.4 t -65.6 -45.58 91.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.157 -0.474 . . . . 61.0 110.833 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 42' ' ' VAL . 83.5 mt -61.38 -40.37 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.585 . . . . 61.0 111.527 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -84.94 -1.95 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.903 0.334 . . . . 61.0 111.903 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' HA3' ' A' ' 8' ' ' GLY . . . 80.73 22.35 62.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.552 -0.832 . . . . 61.0 112.595 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.516 HD22 ' HG ' ' A' ' 20' ' ' LEU . 35.7 tp -73.42 -46.39 48.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.15 -0.685 . . . . 61.0 109.15 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.1 pt -133.73 -179.59 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.825 -1.08 . . . . 61.0 108.647 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.6 t -109.29 155.48 21.1 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.322 -0.551 . . . . 61.0 110.265 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.7 tt0 -54.38 -43.89 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.065 -176.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.436 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 9.0 mmt180 -70.04 -20.09 63.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.406 . . . . 61.0 111.975 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 4.6 tp10 -78.28 -37.29 45.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.15 0.5 . . . . 61.0 109.81 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.83 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.806 -0.634 . . . . 61.0 110.471 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 66' ' ' PHE . 53.1 mt -61.11 -34.69 75.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.734 -0.666 . . . . 61.0 110.443 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.84 -54.48 18.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.323 -0.853 . . . . 61.0 111.544 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.7 ptp180 -77.07 -32.48 56.8 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.493 0.553 . . . . 61.0 112.493 -171.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -97.27 1.89 50.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.808 -0.357 . . . . 61.0 111.336 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.4 m 57.69 66.24 1.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.289 0.566 . . . . 61.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 65' ' ' GLU . 62.4 mt -125.76 164.14 21.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.641 . . . . 61.0 111.115 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 18.4 m -103.72 162.19 13.29 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.117 -0.697 . . . . 61.0 109.117 172.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -67.27 -34.8 78.18 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.817 0.342 . . . . 61.0 110.694 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.77 -29.46 70.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.002 0.429 . . . . 61.0 110.653 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.502 ' HG2' HD22 ' A' ' 61' ' ' LEU . 19.1 tp10 -67.18 -51.65 50.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.761 -0.654 . . . . 61.0 109.349 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.559 ' HB2' HD21 ' A' ' 56' ' ' LEU . 57.5 t80 -60.59 -33.13 72.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.608 -0.724 . . . . 61.0 110.503 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.37 82.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.096 -0.502 . . . . 61.0 110.537 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.47 -44.92 77.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.09 -0.505 . . . . 61.0 110.051 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -56.64 -53.31 59.18 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.963 -0.562 . . . . 61.0 111.287 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.543 ' HA ' HG21 ' A' ' 42' ' ' VAL . 15.4 ptt180 -66.02 -27.79 68.38 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.062 -0.255 . . . . 61.0 111.468 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.2 m -79.8 -28.62 40.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.536 0.208 . . . . 61.0 111.212 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.19 -15.82 34.97 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.721 0.267 . . . . 61.0 111.721 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.7 t -115.89 -67.97 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.793 0.33 . . . . 61.0 111.722 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.25 -37.61 69.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.355 0.502 . . . . 61.0 112.355 -169.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.543 ' HB2' HD13 ' A' ' 92' ' ' LEU . . . -117.82 22.01 12.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.475 -0.33 . . . . 61.0 111.737 -174.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -84.24 -8.88 58.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.266 0.555 . . . . 61.0 110.283 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.31 47.09 3.27 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.741 -0.743 . . . . 61.0 111.849 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -86.3 17.54 3.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.956 0.408 . . . . 61.0 111.042 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -62.88 -45.3 93.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.835 -0.62 . . . . 61.0 109.468 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.84 130.44 16.88 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.236 -0.893 . . . . 61.0 109.739 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.98 85.87 3.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.399 0.619 . . . . 61.0 110.188 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -55.9 153.1 9.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.017 -0.992 . . . . 61.0 109.272 173.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -53.78 -31.42 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.192 0.52 . . . . 61.0 111.23 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.5 m -84.83 -13.76 50.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.387 0.613 . . . . 61.0 111.15 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.524 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 58.4 tpp -74.11 -25.17 59.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.524 . . . . 61.0 110.616 -176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.495 ' H ' HD12 ' A' ' 86' ' ' ILE . 4.9 mp -66.29 -36.6 77.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.52 -0.548 . . . . 61.0 109.52 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -61.05 -37.53 82.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.058 -0.519 . . . . 61.0 109.848 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 85' ' ' MET . 30.3 mmtp -53.72 -53.53 50.83 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.696 -0.684 . . . . 61.0 109.97 174.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.429 ' HE1' ' HB1' ' A' ' 75' ' ' ALA . 29.1 m-85 -74.18 -11.51 60.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.82 -0.627 . . . . 61.0 112.001 -175.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 86' ' ' ILE . 92.7 mtt180 -81.9 -36.48 28.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.749 0.309 . . . . 61.0 110.633 177.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -94.89 -35.42 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.326 -0.397 . . . . 61.0 110.621 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 75' ' ' ALA . 7.1 tt -77.58 122.43 25.27 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.791 -0.818 . . . . 61.0 108.791 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -103.0 119.56 39.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.913 0.387 . . . . 61.0 111.298 -176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 73.68 88.22 0.1 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.891 -1.049 . . . . 61.0 111.765 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.8 t60 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.346 -0.835 . . . . 61.0 109.484 173.37 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.587 ' HB3' HD23 ' A' ' 3' ' ' LEU . 65.4 mtt . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.332 0.111 . . . . 61.0 111.092 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 67.74 -87.47 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 122.748 0.419 . . . . 61.0 110.039 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.587 HD23 ' HB3' ' A' ' 1' ' ' MET . 3.7 mm? 51.46 66.16 1.27 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.014 0.525 . . . . 61.0 112.181 -177.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.64 34.75 2.68 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.936 -0.765 . . . . 61.0 108.936 171.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -78.31 101.73 7.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.569 -0.741 . . . . 61.0 111.717 -173.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.9 -24.07 5.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 107.867 -1.16 . . . . 61.0 107.867 168.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 t70 65.52 83.59 0.17 Allowed 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 113.943 -1.481 . . . . 61.0 111.074 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.75 -178.42 18.39 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.654 -0.703 . . . . 61.0 112.083 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.406 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 8.9 Cg_exo -71.82 171.47 16.47 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.882 2.388 . . . . 61.0 111.889 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -100.32 -19.58 16.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.213 -0.449 . . . . 61.0 111.24 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.584 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.1 pt20 -148.7 145.15 27.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 61.0 110.92 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -131.45 160.05 42.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.043 -0.526 . . . . 61.0 110.719 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m -91.68 144.36 25.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.13 -0.486 . . . . 61.0 110.634 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.5 mm? -100.96 157.91 32.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 61.0 110.342 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.43 -17.91 43.89 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.238 1.959 . . . . 61.0 110.146 171.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.95 -10.31 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.517 -1.22 . . . . 61.0 110.075 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.5 0.34 73.12 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 115.97 -0.559 . . . . 61.0 112.425 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.89 173.24 10.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.788 0.328 . . . . 61.0 111.224 -177.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.1 t -117.13 124.43 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 61.0 109.787 174.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.614 ' HB2' HD21 ' A' ' 14' ' ' LEU . 34.1 tp -112.26 106.47 15.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.128 -0.487 . . . . 61.0 110.002 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.584 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 78.5 p -96.15 169.53 9.89 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.034 -0.728 . . . . 61.0 109.034 175.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.458 HH11 ' HD2' ' A' ' 22' ' ' ARG . 14.1 mtp180 -68.94 -14.59 63.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.322 0.582 . . . . 61.0 110.173 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.93 -18.22 33.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.688 -0.687 . . . . 61.0 110.57 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.515 ' HB2' HD12 ' A' ' 20' ' ' LEU . 9.8 m-20 -81.1 -11.9 59.38 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.156 -0.474 . . . . 61.0 110.625 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 66.4 mt -60.62 139.89 92.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.843 -0.617 . . . . 61.0 110.794 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.99 157.65 28.3 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.347 2.698 . . . . 61.0 112.76 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.585 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 20.6 Cg_endo -59.74 140.89 95.59 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.033 2.488 . . . . 61.0 112.601 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.35 -28.7 69.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.517 -0.765 . . . . 61.0 111.659 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -84.15 13.85 4.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.403 0.62 . . . . 61.0 111.066 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.585 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 63.4 m -78.84 114.46 17.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.171 0.51 . . . . 61.0 110.372 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -111.37 -43.0 3.77 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.807 -0.812 . . . . 61.0 108.807 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -81.03 73.48 8.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.887 0.851 . . . . 61.0 109.788 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -65.85 136.88 56.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.663 -1.153 . . . . 61.0 112.296 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.3 m -104.76 168.56 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.593 -0.73 . . . . 61.0 109.261 171.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.92 82.37 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.112 0.412 . . . . 61.0 112.112 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.0 m -60.9 -39.59 89.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.894 0.331 . . . . 61.0 111.894 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -71.66 -39.03 70.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.621 0.248 . . . . 61.0 110.648 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -62.55 -45.34 93.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.926 0.393 . . . . 61.0 110.495 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.9 87.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 61.0 111.408 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.51 84.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 61.0 111.325 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.4 t -69.14 -50.91 48.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.347 -0.388 . . . . 61.0 111.396 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.34 -37.07 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.621 -0.263 . . . . 61.0 110.917 -177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.694 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.7 mttt -63.81 -39.26 93.8 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.552 0.215 . . . . 61.0 110.518 176.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.496 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -58.12 -46.45 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 61.0 110.707 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.37 -48.08 78.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.06 -0.518 . . . . 61.0 111.258 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.06 -31.39 53.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.019 -0.537 . . . . 61.0 111.994 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -83.68 -17.63 40.77 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.845 -0.342 . . . . 61.0 111.348 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.73 16.96 32.09 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.49 -0.862 . . . . 61.0 112.987 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.6 tp -72.28 -53.75 11.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.471 -0.566 . . . . 61.0 109.471 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.9 pt -124.85 173.81 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.296 -0.866 . . . . 61.0 109.219 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.505 HG23 ' H ' ' A' ' 54' ' ' GLU . 2.7 t -99.28 151.03 21.5 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.288 0.566 . . . . 61.0 111.076 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.513 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 29.6 tt0 -54.08 -40.41 67.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.734 -1.121 . . . . 61.0 110.402 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -64.75 -35.82 82.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.071 -0.968 . . . . 61.0 110.793 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 28.1 tt0 -68.11 -48.33 65.75 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.998 -0.546 . . . . 61.0 109.876 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.27 -44.57 71.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.56 . . . . 61.0 111.051 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.557 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 24.3 mt -62.39 -46.16 89.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.001 -0.545 . . . . 61.0 110.656 178.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -67.98 -49.69 60.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.863 -0.608 . . . . 61.0 111.513 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 14.9 ptm180 -73.04 -30.37 63.69 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.476 0.547 . . . . 61.0 112.476 -173.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.559 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 47.5 m-85 -104.84 5.11 32.83 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.708 -0.397 . . . . 61.0 111.646 -177.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 m 63.28 30.16 15.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.363 0.602 . . . . 61.0 110.651 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 65.1 mt -87.48 145.57 26.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.859 -0.609 . . . . 61.0 110.471 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 35.5 m -90.54 162.34 15.07 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.497 -0.557 . . . . 61.0 109.497 173.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -63.42 -38.39 90.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.371 -0.377 . . . . 61.0 110.758 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.59 -26.21 64.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.331 -0.395 . . . . 61.0 111.247 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' A' ' 62' ' ' SER . 6.9 tp10 -65.46 -58.15 6.54 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.36 -0.608 . . . . 61.0 109.36 175.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.82 -29.96 69.8 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.766 -0.652 . . . . 61.0 110.594 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.68 83.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.144 -0.48 . . . . 61.0 110.911 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.18 -41.41 70.37 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.458 -0.337 . . . . 61.0 110.369 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.9 m0 -55.39 -53.39 56.87 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.8 -0.636 . . . . 61.0 110.351 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.475 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 12.3 ptm180 -71.31 -19.5 62.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.788 -0.642 . . . . 61.0 111.01 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.8 t -70.32 -40.15 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.427 . . . . 61.0 109.94 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.42 -45.52 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.029 -0.532 . . . . 61.0 111.568 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.81 -49.84 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.073 0.397 . . . . 61.0 112.073 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -80.71 19.4 0.83 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.927 0.394 . . . . 61.0 111.329 -175.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.52 12.56 4.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.605 0.717 . . . . 61.0 109.53 173.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -77.88 108.01 10.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.117 -0.947 . . . . 61.0 110.814 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.89 101.92 1.24 Allowed Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.383 -0.687 . . . . 61.0 111.383 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.518 ' OE1' ' HG2' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -88.12 -25.58 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.157 0.503 . . . . 61.0 109.907 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.518 ' HG2' ' OE1' ' A' ' 78' ' ' GLU . 12.8 pttm -93.26 -58.27 2.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.502 -0.772 . . . . 61.0 111.033 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -173.82 156.13 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.862 -0.421 . . . . 61.0 109.862 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.25 83.81 1.86 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.219 0.533 . . . . 61.0 110.338 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.583 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 87.3 tttt -100.65 159.13 15.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.022 -0.99 . . . . 61.0 109.268 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.532 ' HA ' HD12 ' A' ' 86' ' ' ILE . 9.1 p -49.66 -38.4 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 112.206 0.447 . . . . 61.0 112.206 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.2 m -75.45 -33.27 60.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.173 0.511 . . . . 61.0 111.335 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.583 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 0.8 OUTLIER -71.47 -30.2 65.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.019 -0.537 . . . . 61.0 111.599 -174.649 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 83' ' ' VAL . 3.0 mt -55.23 -44.37 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.583 0.23 . . . . 61.0 111.229 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -67.23 -30.24 70.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.762 0.315 . . . . 61.0 110.526 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 92' ' ' LEU . 29.8 mtpp -74.36 -17.57 60.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.422 -0.354 . . . . 61.0 110.954 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -93.86 -45.1 7.79 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.11 -0.329 . . . . 61.0 110.11 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.412 ' HA ' ' HB1' ' A' ' 74' ' ' ALA . 27.0 mmt180 -62.02 -43.95 97.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.299 0.571 . . . . 61.0 110.597 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.48 58.51 0.76 Allowed 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.268 -1.012 . . . . 61.0 108.268 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -63.4 100.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.286 -0.87 . . . . 61.0 111.062 -177.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -102.99 -44.0 5.35 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.825 -0.625 . . . . 61.0 109.339 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -166.79 147.11 5.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.53 -0.759 . . . . 61.0 109.11 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.053 -0.975 . . . . 61.0 111.169 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.754 0.311 . . . . 61.0 110.62 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -128.19 4.48 5.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.969 -0.56 . . . . 61.0 110.391 176.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.9 mt -81.31 -64.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.964 0.411 . . . . 61.0 110.522 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -104.16 13.93 31.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.994 -0.548 . . . . 61.0 111.132 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -142.37 100.58 3.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.09 0.471 . . . . 61.0 110.784 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.5 t -98.56 102.01 12.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.266 -0.642 . . . . 61.0 109.266 173.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.28 138.3 57.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.791 -0.64 . . . . 61.0 109.806 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.68 137.25 43.34 Favored Glycine 0 N--CA 1.452 -0.243 0 CA-C-N 115.946 -0.57 . . . . 61.0 112.204 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HG2' ' O ' ' A' ' 48' ' ' GLY . 75.7 Cg_exo -48.05 128.46 16.72 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.883 2.388 . . . . 61.0 111.963 -176.428 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' HA ' ' CD ' ' A' ' 22' ' ' ARG . 97.0 mtt180 -98.58 -15.32 19.54 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.816 -0.629 . . . . 61.0 110.961 -173.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 14.0 pt20 -164.01 142.29 7.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 61.0 110.707 175.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 20' ' ' LEU . 15.9 m -129.85 162.44 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.791 -0.64 . . . . 61.0 110.087 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.3 m -95.74 136.24 36.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.846 0.355 . . . . 61.0 111.011 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.0 mm? -85.52 161.47 51.13 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 61.0 109.966 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.735 ' HA ' ' HB ' ' A' ' 84' ' ' THR . 14.3 Cg_exo -68.88 -16.84 41.65 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.218 1.946 . . . . 61.0 110.127 172.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.38 -17.94 61.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.302 -1.317 . . . . 61.0 110.258 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.41 -5.48 67.65 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.337 -0.705 . . . . 61.0 111.337 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.513 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.4 m -78.69 168.89 19.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.339 -0.43 . . . . 61.0 110.636 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.5 t -108.55 131.68 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.936 0.398 . . . . 61.0 110.125 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.795 ' HB2' HD21 ' A' ' 14' ' ' LEU . 63.2 tp -113.11 97.21 6.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.526 . . . . 61.0 110.251 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 97.1 p -88.24 173.02 9.03 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.737 -0.468 . . . . 61.0 109.737 177.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CD ' ' HA ' ' A' ' 10' ' ' ARG . 74.2 mtp85 -70.42 -11.29 60.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.033 0.445 . . . . 61.0 110.682 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.15 -4.8 34.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.674 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' CB ' HD12 ' A' ' 20' ' ' LEU . 3.6 m-20 -83.82 -15.6 47.72 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.268 -0.423 . . . . 61.0 110.575 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.42 141.02 88.18 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-N 116.092 -0.504 . . . . 61.0 110.405 175.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.32 146.08 93.33 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.776 2.317 . . . . 61.0 111.87 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.46 154.38 59.6 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.014 2.476 . . . . 61.0 112.615 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.62 -9.15 56.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 61.0 111.068 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -83.7 -8.51 59.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 61.0 110.689 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.5 m -79.19 101.25 7.85 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.148 -0.478 . . . . 61.0 111.071 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -32.82 9.58 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.78 -0.822 . . . . 61.0 108.78 171.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.86 80.63 4.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.54 -0.911 . . . . 61.0 108.54 173.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -74.59 118.76 17.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.109 -0.951 . . . . 61.0 112.585 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -96.52 162.92 2.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.764 -0.653 . . . . 61.0 109.377 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.02 -42.04 75.88 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.374 0.509 . . . . 61.0 112.374 -175.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 p -62.43 -43.8 97.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.644 0.239 . . . . 61.0 111.644 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -70.62 -35.57 73.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.661 0.267 . . . . 61.0 110.474 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -62.78 -43.96 97.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 61.0 110.304 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HA ' HG21 ' A' ' 73' ' ' VAL . . . -58.69 -42.94 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.541 -0.754 . . . . 61.0 111.089 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.29 -43.03 82.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.438 -0.347 . . . . 61.0 111.057 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.0 t -66.13 -51.61 57.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.048 -0.524 . . . . 61.0 111.326 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.56 HG21 ' HA ' ' A' ' 70' ' ' ARG . 12.4 p -69.38 -35.84 69.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 61.0 111.431 -175.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.784 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.4 mttt -62.22 -34.34 76.28 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.879 0.371 . . . . 61.0 110.052 176.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.46 95.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.551 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 67.0 t -67.33 -42.52 87.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.966 0.412 . . . . 61.0 110.706 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.09 -39.23 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 61.0 111.607 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.514 ' NE2' ' HD3' ' A' ' 15' ' ' PRO . 83.3 m-70 -83.15 -15.27 51.3 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.782 -0.367 . . . . 61.0 111.523 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.445 ' O ' ' HG2' ' A' ' 9' ' ' PRO . . . 93.55 24.75 20.3 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.384 -0.912 . . . . 61.0 113.018 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 20' ' ' LEU . 44.2 tp -75.64 -46.38 31.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.118 -0.697 . . . . 61.0 109.118 175.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.449 ' HB ' ' HG2' ' A' ' 54' ' ' GLU . 39.1 pt -132.32 168.98 22.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.916 -1.038 . . . . 61.0 109.09 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.558 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 5.2 t -95.82 157.84 15.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.035 0.445 . . . . 61.0 110.359 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 33.2 tt0 -57.36 -40.98 79.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.915 -0.584 . . . . 61.0 110.723 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -69.66 -22.55 63.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.534 . . . . 61.0 110.993 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 6.2 tp10 -68.61 -48.24 64.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.108 -0.701 . . . . 61.0 109.108 173.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.81 86.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.38 -0.827 . . . . 61.0 111.002 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.537 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 62.0 mt -63.33 -31.05 72.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 61.0 110.827 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.51 -60.3 2.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.096 -0.502 . . . . 61.0 111.225 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm85 -64.3 -30.51 71.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 61.0 111.986 -173.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -104.02 3.17 33.07 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.684 -0.406 . . . . 61.0 110.993 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.0 m 55.32 52.48 11.37 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.316 0.579 . . . . 61.0 110.742 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 73.6 mt -105.98 148.65 27.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.694 -0.685 . . . . 61.0 110.326 -177.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -92.51 160.99 14.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.144 -0.48 . . . . 61.0 109.761 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -62.24 -35.75 79.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.017 0.437 . . . . 61.0 110.444 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.88 -36.13 74.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.689 -0.687 . . . . 61.0 111.323 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -73.51 -52.92 11.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 61.0 110.229 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -61.97 -30.62 71.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.309 -0.405 . . . . 61.0 110.966 -177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.78 87.81 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.953 0.406 . . . . 61.0 110.312 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.92 -45.58 77.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.769 -0.651 . . . . 61.0 110.049 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -52.42 -56.71 13.16 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.818 -0.628 . . . . 61.0 111.315 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.56 ' HA ' HG21 ' A' ' 42' ' ' VAL . 4.6 ptm180 -64.67 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 61.0 111.448 -175.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 m -74.93 -31.47 61.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.663 0.268 . . . . 61.0 111.087 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.26 -45.47 16.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.714 0.292 . . . . 61.0 111.326 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.474 HG21 ' HA ' ' A' ' 39' ' ' ALA . 67.6 t -73.19 -36.41 49.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.379 -0.373 . . . . 61.0 111.765 -175.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.461 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . . . -69.1 -31.93 70.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.822 0.344 . . . . 61.0 110.645 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.7 -18.44 54.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 61.0 110.778 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -65.91 129.0 38.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 61.0 109.697 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.58 35.76 59.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.806 -0.712 . . . . 61.0 112.023 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.623 ' HG3' ' HG3' ' A' ' 79' ' ' LYS . 5.1 pt-20 -54.55 -29.25 50.45 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 123.155 0.582 . . . . 61.0 112.534 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.623 ' HG3' ' HG3' ' A' ' 78' ' ' GLU . 48.9 mttm -94.22 7.38 45.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.956 0.408 . . . . 61.0 110.975 -172.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.12 113.86 27.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.1 -0.5 . . . . 61.0 109.711 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.1 mp -112.58 66.55 0.65 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.205 0.526 . . . . 61.0 110.838 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -82.22 161.75 22.61 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.748 -0.834 . . . . 61.0 108.748 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 p -52.6 -29.03 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 N-CA-C 112.499 0.555 . . . . 61.0 112.499 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.735 ' HB ' ' HA ' ' A' ' 15' ' ' PRO . 1.4 m -93.98 2.94 55.99 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.09 0.471 . . . . 61.0 111.534 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 17.6 mmt -92.97 -23.88 18.56 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.086 -0.384 . . . . 61.0 111.918 -176.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.495 ' H ' HD12 ' A' ' 86' ' ' ILE . 4.6 mp -61.37 -41.24 89.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.657 -0.247 . . . . 61.0 111.303 -173.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -57.34 -32.26 66.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.969 0.414 . . . . 61.0 110.751 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 74' ' ' ALA . 7.2 mtpm? -61.84 -35.67 78.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.266 -0.424 . . . . 61.0 110.895 177.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -90.79 -9.04 47.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.058 -0.519 . . . . 61.0 110.913 -175.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HD3' ' HA ' ' A' ' 90' ' ' ARG . 9.3 mmt180 -98.94 -25.34 14.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.169 -0.468 . . . . 61.0 111.142 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -91.12 -20.97 21.44 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.062 -0.718 . . . . 61.0 109.062 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 tt -74.29 79.9 1.84 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.726 -1.213 . . . . 61.0 107.726 169.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -169.17 79.34 0.12 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.381 -1.281 . . . . 61.0 108.424 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.9 p80 47.83 -174.87 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.395 1.078 . . . . 61.0 112.088 -170.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 . . . . . 0 C--O 1.243 0.742 0 CA-C-O 118.61 -0.709 . . . . 61.0 109.352 178.279 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttt . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.809 0.337 . . . . 61.0 110.218 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -87.13 145.78 26.3 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.401 -0.592 . . . . 61.0 109.401 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 3' ' ' LEU . 1.5 tm? -72.11 85.05 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.469 -0.567 . . . . 61.0 109.469 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -103.74 88.07 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.435 0.636 . . . . 61.0 109.535 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -159.08 159.32 34.46 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.299 -1.0 . . . . 61.0 108.299 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.0 t -72.61 94.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.303 0.573 . . . . 61.0 109.672 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -99.7 91.84 5.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.592 -0.731 . . . . 61.0 109.352 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.09 -153.67 20.67 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.545 -0.836 . . . . 61.0 112.349 -177.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -74.95 143.45 29.27 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.776 2.317 . . . . 61.0 111.607 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 21' ' ' SER . 8.0 mpt_? -91.11 -16.1 28.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.607 -0.27 . . . . 61.0 110.627 176.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.501 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.7 pt20 -144.16 144.62 31.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.885 0.374 . . . . 61.0 111.07 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.44 HG23 ' HB3' ' A' ' 20' ' ' LEU . 18.2 m -133.52 175.35 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.748 -0.66 . . . . 61.0 109.49 172.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.0 m -109.38 144.61 37.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.923 0.392 . . . . 61.0 111.03 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -94.55 156.86 38.03 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 61.0 110.234 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.839 ' HB3' HG21 ' A' ' 84' ' ' THR . 15.3 Cg_exo -69.22 -4.82 14.43 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.754 2.303 . . . . 61.0 110.476 172.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -96.18 -0.97 49.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.695 -1.139 . . . . 61.0 110.192 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.9 2.84 77.63 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 121.11 -0.567 . . . . 61.0 112.771 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.575 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.9 m -92.02 168.24 11.53 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.879 -0.189 . . . . 61.0 110.974 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.4 t -108.22 128.82 63.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 109.861 -0.422 . . . . 61.0 109.861 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.763 ' HB2' HD21 ' A' ' 14' ' ' LEU . 61.9 tp -110.71 106.39 15.59 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.066 -0.516 . . . . 61.0 109.881 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 91.9 p -95.3 166.65 11.79 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.435 -0.579 . . . . 61.0 109.435 177.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.517 ' NH1' HG22 ' A' ' 50' ' ' ILE . 60.5 mtp85 -73.19 -2.39 21.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.062 0.458 . . . . 61.0 110.325 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.95 -16.68 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.531 -0.759 . . . . 61.0 110.471 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB2' HD12 ' A' ' 20' ' ' LEU . 24.8 m-20 -79.86 -11.98 59.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.257 -0.429 . . . . 61.0 110.674 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.4 HD11 HG21 ' A' ' 50' ' ' ILE . 81.1 mt -59.23 130.24 86.93 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 61.0 110.327 177.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.12 156.17 17.04 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.544 2.829 . . . . 61.0 112.648 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 22.0 Cg_endo -61.44 156.41 46.77 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.121 2.548 . . . . 61.0 112.525 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -81.58 1.32 34.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.017 -0.538 . . . . 61.0 110.601 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.9 -0.18 51.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 61.0 110.499 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 87.6 m -85.09 124.0 31.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.993 -0.549 . . . . 61.0 111.79 -175.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' ARG . 2.1 mmt180 -126.16 -22.53 4.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.046 -0.524 . . . . 61.0 110.285 167.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -78.81 69.47 4.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.857 0.837 . . . . 61.0 108.873 169.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -72.71 106.95 4.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.976 -1.011 . . . . 61.0 112.059 -173.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -80.59 166.21 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.514 -0.55 . . . . 61.0 109.514 171.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.21 -38.45 79.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.122 0.264 . . . . 61.0 111.241 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -57.15 -45.71 83.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.92 -0.582 . . . . 61.0 111.488 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -75.82 -38.39 58.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.155 -0.475 . . . . 61.0 110.775 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -62.27 -44.2 97.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 61.0 110.195 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.45 ' HA ' HG21 ' A' ' 73' ' ' VAL . . . -59.01 -44.17 91.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.691 . . . . 61.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 -42.9 80.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.409 -0.359 . . . . 61.0 111.327 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.97 -53.62 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.395 -0.366 . . . . 61.0 111.309 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.417 HG11 ' HB ' ' A' ' 73' ' ' VAL . 13.7 p -67.1 -37.6 79.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 116.37 -0.377 . . . . 61.0 111.236 -175.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.673 ' HD3' HD12 ' A' ' 14' ' ' LEU . 96.9 mttt -65.98 -30.12 70.62 Favored 'General case' 0 CA--C 1.523 -0.09 0 O-C-N 122.309 -0.245 . . . . 61.0 110.484 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.22 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 61.0 110.499 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.441 HG22 HG13 ' A' ' 50' ' ' ILE . 53.5 t -71.64 -39.71 69.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.019 0.438 . . . . 61.0 110.663 178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.64 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 84.9 mt -70.25 -32.91 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.896 -0.593 . . . . 61.0 111.976 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.484 ' NE2' ' HD3' ' A' ' 15' ' ' PRO . 84.3 m-70 -90.69 -1.15 57.88 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.995 -0.441 . . . . 61.0 111.92 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.07 37.33 22.23 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.55 -0.833 . . . . 61.0 112.62 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.404 HD11 ' HG3' ' A' ' 22' ' ' ARG . 40.7 tp -95.87 -45.54 6.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.484 0.659 . . . . 61.0 109.661 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.517 HG22 ' NH1' ' A' ' 22' ' ' ARG . 34.0 pt -132.35 173.85 14.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.093 -0.958 . . . . 61.0 109.154 175.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 54' ' ' GLU . 6.4 t -105.28 155.15 19.35 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.118 -0.327 . . . . 61.0 110.118 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 19.9 tt0 -54.28 -43.32 70.94 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.038 0.446 . . . . 61.0 110.571 -177.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 33.7 mmt180 -66.68 -27.34 67.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.859 -0.61 . . . . 61.0 111.734 -177.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' H ' HG23 ' A' ' 51' ' ' THR . 26.1 tt0 -73.8 -39.9 63.77 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.387 -0.597 . . . . 61.0 109.387 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.74 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.699 -0.682 . . . . 61.0 110.171 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 65.6 mt -63.46 -37.17 86.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.478 -0.783 . . . . 61.0 110.815 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.59 -56.17 8.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.966 -0.561 . . . . 61.0 111.769 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 7.5 ptp180 -69.77 -22.91 63.31 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.264 0.468 . . . . 61.0 112.264 -172.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.55 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 62.2 m-85 -107.94 -0.31 21.48 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.712 -0.395 . . . . 61.0 112.014 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.9 t 60.6 46.56 9.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.671 0.748 . . . . 61.0 109.888 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.61 HD22 ' HG2' ' A' ' 65' ' ' GLU . 41.6 mt -102.38 160.26 14.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.517 -0.765 . . . . 61.0 110.027 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' HG2' ' A' ' 64' ' ' GLU . 15.2 m -116.88 170.95 8.22 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.645 -0.502 . . . . 61.0 109.645 176.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -54.15 -42.58 69.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.426 0.155 . . . . 61.0 111.348 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 8.5 pt-20 -51.56 -36.39 44.99 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.158 -0.473 . . . . 61.0 111.624 177.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.61 ' HG2' HD22 ' A' ' 61' ' ' LEU . 7.3 tp10 -74.73 -62.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.735 -0.666 . . . . 61.0 110.184 -176.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.518 ' HB2' HD21 ' A' ' 56' ' ' LEU . 42.5 t80 -61.95 -32.54 72.97 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.759 -0.655 . . . . 61.0 111.502 -173.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.53 -36.68 81.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.742 0.306 . . . . 61.0 110.851 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.39 -37.56 60.47 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.137 -0.483 . . . . 61.0 110.323 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -57.02 -48.65 77.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.936 -0.575 . . . . 61.0 110.745 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 19.3 ptt180 -74.78 -23.66 58.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.911 -0.315 . . . . 61.0 110.978 177.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 46.4 t -64.16 -31.15 72.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.259 0.552 . . . . 61.0 109.656 173.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.85 -53.72 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.992 -0.549 . . . . 61.0 111.389 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 39' ' ' ALA . 58.3 t -83.76 -45.91 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.782 0.66 . . . . 61.0 112.782 -171.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -70.65 -44.37 67.26 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.063 -0.398 . . . . 61.0 110.511 -177.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 71' ' ' SER . . . -75.53 2.99 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 61.0 111.154 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -74.68 111.96 10.4 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.059 -0.719 . . . . 61.0 109.059 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.52 23.8 22.93 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.975 -0.631 . . . . 61.0 111.744 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.7 -18.15 64.2 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.805 0.336 . . . . 61.0 111.516 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -80.97 -15.23 56.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 61.0 110.866 -175.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.8 103.69 7.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.43 -0.35 . . . . 61.0 110.846 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.8 mp -79.77 77.56 6.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.299 0.571 . . . . 61.0 110.449 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.58 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 38.8 ttmt -81.53 163.3 22.77 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.962 -0.755 . . . . 61.0 108.962 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.532 ' HA ' HD13 ' A' ' 86' ' ' ILE . 12.9 p -51.47 -33.47 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.958 0.409 . . . . 61.0 111.748 -177.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.839 HG21 ' HB3' ' A' ' 15' ' ' PRO . 2.0 m -71.46 -25.1 62.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.236 0.541 . . . . 61.0 111.302 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.58 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 0.9 OUTLIER -74.24 -23.95 59.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.153 -0.476 . . . . 61.0 111.379 -176.363 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.532 HD13 ' HA ' ' A' ' 83' ' ' VAL . 3.5 mp -64.39 -28.2 44.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.527 -0.306 . . . . 61.0 111.034 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.448 ' HA ' ' HG2' ' A' ' 90' ' ' ARG . 36.0 tt0 -60.09 -40.38 89.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.255 0.55 . . . . 61.0 110.049 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -64.72 -35.39 80.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.765 -0.652 . . . . 61.0 110.214 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.526 ' HD1' HD12 ' A' ' 92' ' ' LEU . 17.0 m-85 -80.7 -29.48 36.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.977 -0.556 . . . . 61.0 111.651 -174.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.448 ' HG2' ' HA ' ' A' ' 87' ' ' GLN . 17.1 ptm180 -75.39 -29.94 59.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.407 . . . . 61.0 110.413 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.64 ' OE1' ' HA ' ' A' ' 46' ' ' ILE . 49.7 tt0 -94.45 -2.09 52.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.258 0.552 . . . . 61.0 109.864 177.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.526 HD12 ' HD1' ' A' ' 89' ' ' TYR . 0.6 OUTLIER -64.81 118.81 9.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.869 -0.605 . . . . 61.0 111.591 -176.222 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -141.95 158.29 43.95 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.049 -1.093 . . . . 61.0 108.049 172.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -64.66 -44.56 90.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.366 -0.976 . . . . 61.0 108.366 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.414 ' HE1' ' NH2' ' A' ' 53' ' ' ARG . 36.6 t-80 . . . . . 0 C--O 1.244 0.792 0 CA-C-N 114.812 -1.085 . . . . 61.0 109.3 169.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.782 0.325 . . . . 61.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -175.76 -67.14 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.07 -1.085 . . . . 61.0 108.07 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp -92.88 178.8 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.042 -0.981 . . . . 61.0 108.513 169.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -85.17 -3.93 58.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.79 0.329 . . . . 61.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -135.15 144.53 47.1 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.662 -0.495 . . . . 61.0 109.662 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -88.15 96.02 5.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.988 0.423 . . . . 61.0 110.446 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -82.31 121.9 27.27 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.036 -0.727 . . . . 61.0 109.036 175.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.09 113.7 6.04 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.129 -0.558 . . . . 61.0 113.098 -176.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.76 122.54 9.71 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.662 2.241 . . . . 61.0 110.89 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -95.76 -11.77 26.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.238 -0.437 . . . . 61.0 110.696 -176.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.572 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.3 pt20 -151.3 141.2 21.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.427 -0.351 . . . . 61.0 110.309 176.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 m -131.98 155.98 42.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.414 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -96.6 136.57 36.94 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.15 0.5 . . . . 61.0 111.019 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -88.33 159.17 48.04 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 61.0 110.337 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HG3' ' HG3' ' A' ' 88' ' ' LYS . 11.1 Cg_exo -71.17 -15.1 31.97 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.474 2.116 . . . . 61.0 109.956 169.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.09 -15.66 60.6 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 114.669 -1.15 . . . . 61.0 109.807 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.4 2.96 63.36 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.931 -0.652 . . . . 61.0 111.738 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.574 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -89.04 169.84 11.16 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.46 0.304 . . . . 61.0 110.832 -178.337 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.0 t -116.17 125.57 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.774 -0.454 . . . . 61.0 109.774 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.694 ' HB2' HD21 ' A' ' 14' ' ' LEU . 53.1 tp -113.63 108.94 17.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.923 -0.58 . . . . 61.0 110.13 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 88.6 p -99.3 169.96 8.99 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.987 -0.375 . . . . 61.0 109.987 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.587 ' NH1' HG22 ' A' ' 50' ' ' ILE . 48.8 mtp85 -71.91 -6.61 43.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 61.0 110.72 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.4 -8.97 43.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 61.0 110.619 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.537 ' HB2' HD12 ' A' ' 20' ' ' LEU . 21.7 m-20 -90.45 -4.06 57.25 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.119 -0.492 . . . . 61.0 110.578 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.522 HD11 HG21 ' A' ' 50' ' ' ILE . 56.9 mt -67.71 134.81 92.4 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.864 -0.607 . . . . 61.0 110.47 177.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -61.97 149.67 89.37 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.087 2.525 . . . . 61.0 111.474 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.505 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 25.2 Cg_endo -61.5 151.67 78.34 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.741 2.294 . . . . 61.0 112.796 -178.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -70.48 -20.61 62.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 61.0 111.127 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.01 4.77 16.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 61.0 110.531 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.505 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 85.8 m -84.17 103.95 13.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.132 -0.486 . . . . 61.0 111.302 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -109.36 169.45 8.69 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.079 -0.712 . . . . 61.0 109.079 169.392 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 31' ' ' ARG . 46.1 ttt180 76.79 -53.67 0.57 Allowed 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.91 0.756 . . . . 61.0 109.544 -173.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 m95 70.83 159.56 0.2 Allowed 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.285 -0.87 . . . . 61.0 112.564 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.02 162.16 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.614 -1.176 . . . . 61.0 108.728 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -41.04 79.35 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.465 0.543 . . . . 61.0 112.465 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.9 p -58.55 -47.61 83.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.344 . . . . 61.0 111.729 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' HG23 ' A' ' 41' ' ' VAL . 61.2 mtt180 -69.02 -39.39 79.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 61.0 110.878 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.43 -41.75 98.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.251 -0.432 . . . . 61.0 110.69 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.53 93.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 61.0 110.974 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.45 90.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.448 -0.342 . . . . 61.0 110.904 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 37' ' ' ARG . 86.8 t -63.5 -48.12 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 61.0 111.345 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 46' ' ' ILE . 14.9 p -65.73 -41.66 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.848 -0.341 . . . . 61.0 111.075 -177.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.692 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.3 mttt -66.39 -30.13 70.44 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 122.315 -0.241 . . . . 61.0 110.684 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.15 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 61.0 110.469 177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.5 HG22 HG13 ' A' ' 50' ' ' ILE . 56.5 t -65.57 -45.59 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 61.0 110.821 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 42' ' ' VAL . 96.8 mt -56.06 -40.97 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.957 -0.565 . . . . 61.0 111.953 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -88.76 -5.12 58.3 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.733 -0.387 . . . . 61.0 111.818 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.66 17.37 56.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.674 -0.774 . . . . 61.0 112.954 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.494 HD22 ' HG ' ' A' ' 20' ' ' LEU . 31.2 tp -69.52 -44.89 70.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.472 0.653 . . . . 61.0 109.427 177.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.587 HG22 ' NH1' ' A' ' 22' ' ' ARG . 36.0 pt -131.37 172.22 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.091 -0.959 . . . . 61.0 108.959 174.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 54' ' ' GLU . 4.6 t -100.16 149.56 23.4 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.059 0.457 . . . . 61.0 110.262 175.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.655 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 19.9 tt0 -57.24 -40.03 76.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.567 -0.742 . . . . 61.0 110.47 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.61 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 1.2 tmt_? -66.92 -30.56 70.73 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.701 -0.481 . . . . 61.0 109.701 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 31.6 tt0 -66.66 -46.57 75.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.579 -0.526 . . . . 61.0 109.579 178.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.4 86.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.115 -0.493 . . . . 61.0 110.769 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 49.7 mt -68.85 -31.93 71.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.682 -0.69 . . . . 61.0 110.776 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . 16.7 t70 -78.93 -55.34 5.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.981 -0.554 . . . . 61.0 111.232 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.1 ptm180 -67.87 -36.92 81.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.698 -0.683 . . . . 61.0 111.776 -171.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -97.55 -1.11 44.67 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.966 -0.294 . . . . 61.0 111.393 -177.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 t 57.4 74.29 0.42 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.528 0.68 . . . . 61.0 109.844 -176.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 82.5 mt -127.14 -161.89 1.11 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.536 -0.756 . . . . 61.0 110.067 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 m -148.59 157.23 43.32 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.222 -0.659 . . . . 61.0 109.222 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.88 -40.62 84.95 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 123.194 0.309 . . . . 61.0 110.94 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.92 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 61.0 110.979 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -67.92 -50.0 58.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.771 -0.65 . . . . 61.0 109.81 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -62.31 -33.97 75.7 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.091 -0.504 . . . . 61.0 110.576 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.29 82.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 61.0 110.329 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.64 -42.24 87.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.992 -0.549 . . . . 61.0 110.298 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -55.82 -51.64 66.78 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.009 -0.542 . . . . 61.0 111.224 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -71.79 -22.34 61.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.866 0.321 . . . . 61.0 111.866 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 69.8 m -80.18 -23.52 40.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.036 0.446 . . . . 61.0 110.587 175.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.32 -23.31 22.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.138 -0.483 . . . . 61.0 111.241 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t -108.12 -68.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 121.063 -0.255 . . . . 61.0 111.648 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.08 92.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.912 0.387 . . . . 61.0 111.481 -175.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 71' ' ' SER . . . -74.64 -12.09 60.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.152 0.501 . . . . 61.0 110.619 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.45 ' C ' ' H ' ' A' ' 78' ' ' GLU . 29.9 t60 -88.93 4.66 47.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.471 0.653 . . . . 61.0 109.595 175.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 81' ' ' LEU . . . -78.94 14.68 12.77 Favored Glycine 0 N--CA 1.452 -0.288 0 N-CA-C 110.888 -0.885 . . . . 61.0 110.888 171.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 76' ' ' HIS . 7.7 pt-20 -49.58 -26.7 3.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.949 1.299 . . . . 61.0 112.561 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -98.27 8.69 44.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.202 -0.454 . . . . 61.0 111.958 -175.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -148.29 47.42 1.05 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.083 0.401 . . . . 61.0 112.083 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 77' ' ' GLY . 7.1 mp -80.0 76.17 6.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.222 0.534 . . . . 61.0 110.875 174.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 88.3 tttt -97.22 150.85 20.45 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.994 -0.743 . . . . 61.0 108.994 176.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.614 ' HA ' HD12 ' A' ' 86' ' ' ILE . 8.5 p -48.67 -37.43 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.162 0.506 . . . . 61.0 111.317 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.8 m -61.66 -52.47 64.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.132 -0.94 . . . . 61.0 111.121 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.568 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 1.3 mpt? -63.37 -32.65 74.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.455 -0.793 . . . . 61.0 111.251 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 83' ' ' VAL . 7.1 mt -68.87 -30.81 48.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.243 -0.435 . . . . 61.0 111.309 -178.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -65.37 -31.22 72.23 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.897 -0.779 . . . . 61.0 108.897 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.549 ' HA ' ' HG2' ' A' ' 91' ' ' GLN . 67.3 mmtt -74.65 -22.62 58.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.58 -0.737 . . . . 61.0 109.918 177.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.503 ' CD2' ' HA ' ' A' ' 86' ' ' ILE . 22.4 m-85 -80.58 -25.02 38.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.976 0.417 . . . . 61.0 110.035 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -79.89 -24.17 41.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.206 -0.452 . . . . 61.0 110.976 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.549 ' HG2' ' HA ' ' A' ' 88' ' ' LYS . 3.8 pt20 -88.64 -5.61 58.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.547 0.689 . . . . 61.0 109.163 173.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' ' 92' ' ' LEU . 7.1 tt -91.17 122.49 33.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.806 -1.088 . . . . 61.0 109.456 177.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.19 -72.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.311 0.382 . . . . 61.0 110.246 176.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -171.32 97.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.866 -0.606 . . . . 61.0 109.886 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 . . . . . 0 C--N 1.317 -0.846 0 CA-C-O 118.582 -0.723 . . . . 61.0 109.261 177.834 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB3' ' H ' ' A' ' 2' ' ' TYR . 59.3 mtt . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.122 -0.325 . . . . 61.0 110.122 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.406 ' H ' ' HB3' ' A' ' 1' ' ' MET . 52.3 t80 73.61 -75.21 0.08 Allowed 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.858 0.724 . . . . 61.0 110.196 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.4 mt 60.89 -88.47 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.731 0.644 . . . . 61.0 111.247 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -80.16 -62.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.365 -0.605 . . . . 61.0 109.365 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 176.87 135.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.941 -1.027 . . . . 61.0 108.938 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.5 t -80.88 132.04 32.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.053 -0.721 . . . . 61.0 109.053 175.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.51 75.86 2.55 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.723 -0.473 . . . . 61.0 109.723 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.41 -157.42 24.45 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.618 -0.719 . . . . 61.0 112.26 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -81.52 126.32 5.34 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.67 2.247 . . . . 61.0 111.109 171.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -78.08 -31.2 50.02 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.801 -0.444 . . . . 61.0 109.801 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.578 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.4 pt20 -155.92 141.71 17.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 61.0 110.26 -177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.95 156.07 31.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.229 -0.441 . . . . 61.0 110.551 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.1 m -93.8 135.33 35.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.232 -0.44 . . . . 61.0 110.916 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.678 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -89.63 156.85 47.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.187 -0.46 . . . . 61.0 110.235 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' NE2' ' A' ' 47' ' ' HIS . 16.0 Cg_exo -68.51 -14.38 39.62 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.525 2.15 . . . . 61.0 110.089 171.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.66 -14.85 60.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.599 -1.182 . . . . 61.0 109.794 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.49 3.98 64.4 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.882 -0.599 . . . . 61.0 111.634 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.488 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.3 m -89.26 169.28 11.58 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.485 -0.358 . . . . 61.0 111.124 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.72 126.5 72.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.853 -0.425 . . . . 61.0 109.853 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.652 ' HB2' HD21 ' A' ' 14' ' ' LEU . 38.7 tp -115.41 104.98 12.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.145 -0.48 . . . . 61.0 110.055 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.578 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.5 p -94.21 169.94 9.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.256 -0.429 . . . . 61.0 110.495 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -66.46 -13.06 60.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.129 -0.487 . . . . 61.0 111.078 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.5 -7.78 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 61.0 110.546 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.492 ' HB2' HD12 ' A' ' 20' ' ' LEU . 24.3 m-20 -86.13 -13.62 46.58 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.931 -0.396 . . . . 61.0 109.931 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt -56.65 129.67 76.74 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.725 -0.67 . . . . 61.0 109.829 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.24 148.74 68.58 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 123.105 2.537 . . . . 61.0 112.214 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.18 155.14 71.92 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.795 2.33 . . . . 61.0 112.449 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -68.6 -17.18 64.07 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.934 -0.575 . . . . 61.0 110.818 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.73 -23.29 65.24 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.568 -0.742 . . . . 61.0 110.532 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.8 m -66.56 113.71 4.96 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.508 0.671 . . . . 61.0 110.559 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.53 -41.52 2.82 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.303 -0.862 . . . . 61.0 108.976 178.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -77.0 82.16 3.53 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.142 -1.058 . . . . 61.0 108.142 168.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -66.42 119.02 10.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.09 -0.959 . . . . 61.0 111.75 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.45 162.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 61.0 109.444 173.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.84 -42.15 71.6 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.303 0.377 . . . . 61.0 111.678 -176.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.6 m -60.09 -40.77 90.74 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.835 0.309 . . . . 61.0 111.835 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -79.07 -32.96 44.96 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.602 -0.272 . . . . 61.0 110.731 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.45 -43.2 91.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.03 0.443 . . . . 61.0 110.417 173.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -61.46 -39.35 90.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.693 -0.685 . . . . 61.0 111.222 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.4 95.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.821 0.343 . . . . 61.0 110.796 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.0 t -66.67 -48.43 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.274 -0.421 . . . . 61.0 111.355 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.526 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.7 p -66.26 -40.21 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.621 -0.263 . . . . 61.0 111.395 -177.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.678 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.1 mttt -65.54 -35.35 80.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.707 0.289 . . . . 61.0 110.461 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.517 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -59.73 -45.92 90.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.119 0.485 . . . . 61.0 110.368 177.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.641 HG11 ' HG3' ' A' ' 52' ' ' GLU . 82.0 t -66.99 -45.04 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.637 -0.711 . . . . 61.0 111.506 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.49 -37.64 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.181 -0.463 . . . . 61.0 111.359 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.415 ' NE2' ' HD3' ' A' ' 15' ' ' PRO . 78.2 m-70 -81.93 -18.13 44.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.801 -0.359 . . . . 61.0 111.355 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.13 2.51 45.09 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.381 -0.914 . . . . 61.0 113.225 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.495 HD22 ' HG ' ' A' ' 20' ' ' LEU . 37.7 tp -55.33 -52.41 63.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.348 0.594 . . . . 61.0 109.6 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 pt -129.07 -175.92 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.724 -0.843 . . . . 61.0 108.724 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.418 HG23 ' H ' ' A' ' 54' ' ' GLU . 8.9 t -123.23 167.04 14.25 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.884 -0.326 . . . . 61.0 110.276 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.641 ' HG3' HG11 ' A' ' 45' ' ' VAL . 6.4 mt-10 -55.54 -48.05 75.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.47 . . . . 61.0 111.621 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -29.56 70.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.828 -0.624 . . . . 61.0 111.02 -177.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 13.1 tp10 -71.59 -46.88 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.742 -0.663 . . . . 61.0 110.219 178.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.4 65.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.916 -0.584 . . . . 61.0 111.105 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 68.1 mt -61.07 -36.41 79.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.594 . . . . 61.0 110.89 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.67 -55.8 9.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.254 -0.43 . . . . 61.0 111.385 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.1 ptp180 -65.88 -37.94 87.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 61.0 111.783 -174.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -92.89 0.08 57.34 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.991 0.367 . . . . 61.0 111.991 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.3 m 58.91 39.23 24.01 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.24 0.543 . . . . 61.0 110.691 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 90.0 mt -93.49 167.86 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.713 -0.676 . . . . 61.0 110.635 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.482 ' HB3' ' OE1' ' A' ' 64' ' ' GLU . 19.0 m -106.25 153.3 22.35 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.418 -0.586 . . . . 61.0 109.418 175.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -63.56 -35.54 80.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.943 0.401 . . . . 61.0 110.799 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.482 ' OE1' ' HB3' ' A' ' 62' ' ' SER . 1.7 pm0 -71.19 -24.31 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 61.0 110.94 177.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 62' ' ' SER . 36.0 tp10 -70.36 -50.39 39.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.223 -0.658 . . . . 61.0 109.223 177.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 42' ' ' VAL . 50.9 t80 -62.86 -29.71 70.95 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.833 -0.622 . . . . 61.0 110.354 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.25 87.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.514 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.17 -42.98 83.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.277 -0.42 . . . . 61.0 110.104 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -54.26 -55.04 32.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.965 -0.561 . . . . 61.0 111.133 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.526 ' HA ' HG21 ' A' ' 42' ' ' VAL . 7.4 ptm180 -69.89 -29.05 66.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 61.0 111.168 -175.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.562 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 6.6 t -75.69 -28.79 58.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.071 0.462 . . . . 61.0 110.317 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.5 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -86.2 -39.2 16.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.474 -0.33 . . . . 61.0 111.492 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.8 t -84.77 -66.26 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.636 0.255 . . . . 61.0 111.401 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.69 -40.12 63.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.924 0.392 . . . . 61.0 111.315 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 71' ' ' SER . . . -88.96 13.63 12.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.25 -0.432 . . . . 61.0 111.547 -175.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 48.2 t-80 -63.29 -34.76 78.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.429 0.633 . . . . 61.0 109.345 173.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.33 77.71 0.25 Allowed Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.233 -0.894 . . . . 61.0 110.987 174.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -103.66 0.55 30.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.924 0.393 . . . . 61.0 110.968 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -92.38 -21.02 20.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.245 -0.434 . . . . 61.0 110.872 -176.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' A' ' 85' ' ' MET . . . -98.56 89.76 4.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.122 -0.49 . . . . 61.0 110.315 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.57 77.08 7.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.349 0.595 . . . . 61.0 110.473 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.44 ' O ' HD12 ' A' ' 86' ' ' ILE . 15.0 tptm -96.84 166.7 11.5 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.595 -0.891 . . . . 61.0 108.595 175.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.3 p -53.91 -31.78 21.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 112.796 0.665 . . . . 61.0 112.796 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 m -77.84 -18.42 56.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.217 0.532 . . . . 61.0 111.075 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.692 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 1.2 mpt? -88.99 -16.87 30.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.547 0.573 . . . . 61.0 112.547 -170.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 82' ' ' LYS . 4.2 mp -60.63 -30.33 46.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.927 0.394 . . . . 61.0 110.832 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -60.49 -37.97 82.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.2 -0.455 . . . . 61.0 111.243 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 85' ' ' MET . 18.1 ptpt -72.98 -27.62 61.91 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.907 0.384 . . . . 61.0 110.589 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -78.93 -31.27 45.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.985 0.421 . . . . 61.0 109.899 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -79.29 -25.17 42.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.088 -0.505 . . . . 61.0 111.06 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' HG3' ' HA ' ' A' ' 88' ' ' LYS . 1.3 pp0? -83.63 -11.83 56.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.25 0.548 . . . . 61.0 109.739 176.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.6 tt -79.05 -26.14 43.12 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.553 -0.906 . . . . 61.0 108.553 174.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -78.37 72.35 4.89 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.885 -1.052 . . . . 61.0 109.641 175.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -94.15 -2.39 52.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.644 0.735 . . . . 61.0 109.415 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 . . . . . 0 C--O 1.243 0.746 0 CA-C-N 114.819 -1.082 . . . . 61.0 108.895 173.225 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 120.591 0.234 . . . . 61.0 110.827 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -83.49 84.63 7.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.939 0.399 . . . . 61.0 110.845 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tt -179.87 -74.73 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.304 -0.998 . . . . 61.0 108.304 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -170.1 123.89 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.525 -0.762 . . . . 61.0 109.597 177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -97.7 165.36 12.0 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.281 -1.007 . . . . 61.0 108.281 173.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.17 88.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.384 0.611 . . . . 61.0 110.31 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.468 ' OD2' ' HD3' ' A' ' 10' ' ' ARG . 17.2 t70 -124.93 112.78 17.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.646 -0.706 . . . . 61.0 109.939 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.71 -107.96 0.27 Allowed Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.298 -1.121 . . . . 61.0 110.298 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.9 88.08 1.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 121.975 1.784 . . . . 61.0 111.168 173.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HD3' ' OD2' ' A' ' 7' ' ' ASP . 20.3 mtm180 -83.85 -19.2 35.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.375 -0.375 . . . . 61.0 110.274 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.604 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.8 pt20 -154.26 140.46 18.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.946 -0.57 . . . . 61.0 110.717 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.5 m -123.44 159.54 27.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.993 -0.548 . . . . 61.0 110.823 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.2 m -100.65 129.14 46.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.92 -0.582 . . . . 61.0 110.685 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.655 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -83.9 153.89 64.07 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.708 -0.479 . . . . 61.0 109.708 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.45 -14.88 43.96 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.03 1.82 . . . . 61.0 110.048 173.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.72 -16.14 61.2 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.271 -1.331 . . . . 61.0 110.34 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.75 3.37 66.32 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.013 -0.613 . . . . 61.0 111.609 -176.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -86.81 166.44 15.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.312 -0.444 . . . . 61.0 110.641 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.3 t -113.48 129.48 69.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.918 -0.401 . . . . 61.0 109.918 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.623 ' HB2' HD21 ' A' ' 14' ' ' LEU . 50.8 tp -122.49 106.81 11.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.154 -0.475 . . . . 61.0 110.127 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.604 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 86.1 p -101.12 173.8 6.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.443 -0.344 . . . . 61.0 110.145 178.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -71.47 -9.6 58.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.838 0.352 . . . . 61.0 110.818 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.17 -6.99 37.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.099 -0.501 . . . . 61.0 110.608 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.477 ' HB2' HD12 ' A' ' 20' ' ' LEU . 13.4 m-20 -90.68 -18.49 24.97 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.106 -0.497 . . . . 61.0 110.904 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 50' ' ' ILE . 67.6 mt -52.93 139.75 42.27 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-N 116.125 -0.488 . . . . 61.0 111.073 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.31 137.99 78.56 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.792 2.328 . . . . 61.0 111.114 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.89 150.41 78.05 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.644 2.229 . . . . 61.0 112.745 -175.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.4 mt -65.95 -16.41 63.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.526 0.679 . . . . 61.0 109.872 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.43 -28.26 69.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.214 -0.903 . . . . 61.0 111.041 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.511 HG23 HH11 ' A' ' 37' ' ' ARG . 54.4 m -64.54 119.37 10.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.361 0.6 . . . . 61.0 112.103 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 7.9 tpt180 -115.21 -36.04 4.49 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.321 -0.854 . . . . 61.0 108.754 172.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -71.98 82.43 0.94 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.629 -0.714 . . . . 61.0 109.558 172.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -73.94 93.22 2.18 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.629 -0.714 . . . . 61.0 111.977 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.5 m -82.65 170.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.656 -0.702 . . . . 61.0 110.088 175.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.86 -53.42 56.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.636 0.606 . . . . 61.0 112.636 -173.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.8 m -64.11 -32.56 74.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.188 0.44 . . . . 61.0 112.188 -174.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.511 HH11 HG23 ' A' ' 30' ' ' THR . 98.3 mtt180 -70.71 -39.82 73.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.849 0.357 . . . . 61.0 110.325 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.11 -42.02 99.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.95 -0.568 . . . . 61.0 110.253 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.482 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -61.54 -39.02 89.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.523 -0.762 . . . . 61.0 111.305 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.39 98.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.83 0.348 . . . . 61.0 110.763 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 37' ' ' ARG . 59.5 t -64.76 -47.64 87.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.216 -0.447 . . . . 61.0 111.238 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 39' ' ' ALA . 13.5 p -68.22 -38.75 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.43 -0.35 . . . . 61.0 111.126 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.2 mttt -63.46 -30.96 72.0 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.768 0.318 . . . . 61.0 110.372 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.484 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -64.04 -44.69 91.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.028 -0.533 . . . . 61.0 110.911 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.527 HG22 HG13 ' A' ' 50' ' ' ILE . 62.6 t -72.96 -38.14 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.02 0.438 . . . . 61.0 110.95 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.0 -39.0 80.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.984 -0.553 . . . . 61.0 111.427 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -85.9 -18.65 32.13 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.829 -0.348 . . . . 61.0 111.485 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 25.68 13.42 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.192 -1.004 . . . . 61.0 112.603 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.505 HD22 ' HG ' ' A' ' 20' ' ' LEU . 40.1 tp -73.98 -50.45 19.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.065 0.936 . . . . 61.0 108.892 175.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.527 HG13 HG22 ' A' ' 45' ' ' VAL . 37.5 pt -124.88 163.82 24.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.395 -1.275 . . . . 61.0 108.386 173.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.495 HG23 ' H ' ' A' ' 54' ' ' GLU . 10.8 t -92.05 159.85 15.51 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 120.108 -0.637 . . . . 61.0 109.686 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.507 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 31.4 tt0 -57.11 -45.59 83.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.893 -0.594 . . . . 61.0 111.062 -172.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HG2' HD12 ' A' ' 56' ' ' LEU . 1.1 mtp180 -71.03 -26.62 63.18 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 111.846 0.313 . . . . 61.0 111.846 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' H ' HG23 ' A' ' 51' ' ' THR . 28.0 tt0 -62.58 -36.79 83.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.434 -0.58 . . . . 61.0 109.434 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.13 -46.66 76.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.753 -0.658 . . . . 61.0 110.484 174.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.584 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 61.1 mt -61.82 -53.98 48.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.804 -0.635 . . . . 61.0 111.149 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -63.61 -31.25 72.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.782 -0.645 . . . . 61.0 112.402 -172.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.4 ptp180 -86.21 -23.02 26.62 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.3 -0.56 . . . . 61.0 111.967 -178.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.46 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 56.1 m-85 -110.2 4.23 20.8 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.827 -0.349 . . . . 61.0 111.432 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.7 m 63.06 25.59 15.04 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.222 0.534 . . . . 61.0 110.728 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 88.3 mt -81.45 154.48 26.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.761 -0.654 . . . . 61.0 110.868 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.459 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 14.8 m -92.61 154.26 18.5 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.914 -0.585 . . . . 61.0 109.513 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.27 -42.12 81.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.156 -0.475 . . . . 61.0 110.902 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.7 pt-20 -68.13 -30.46 69.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.704 -0.68 . . . . 61.0 110.952 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.459 ' HB3' ' O ' ' A' ' 62' ' ' SER . 7.4 tp10 -60.73 -58.9 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.226 0.536 . . . . 61.0 109.588 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.591 ' HE2' HH11 ' A' ' 70' ' ' ARG . 55.6 t80 -63.64 -31.44 72.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.719 -0.673 . . . . 61.0 110.782 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.25 -44.03 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 61.0 110.154 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 87.6 mt -66.74 -40.07 88.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 61.0 110.481 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -53.52 -51.51 62.61 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.304 -0.407 . . . . 61.0 111.039 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.591 HH11 ' HE2' ' A' ' 66' ' ' PHE . 12.1 ptm180 -77.66 -21.63 51.86 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.117 -0.233 . . . . 61.0 111.611 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.7 m -77.2 -15.81 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.283 0.563 . . . . 61.0 110.068 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.44 -63.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.59 -0.732 . . . . 61.0 110.818 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.74 -50.22 67.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.342 -0.39 . . . . 61.0 111.962 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -78.97 10.0 3.81 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.002 0.429 . . . . 61.0 111.058 -176.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.13 12.59 4.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.101 -0.499 . . . . 61.0 109.782 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -101.87 112.22 24.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.872 -0.604 . . . . 61.0 110.722 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.411 ' O ' HD11 ' A' ' 81' ' ' LEU . . . -169.5 87.22 0.09 OUTLIER Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.351 -0.84 . . . . 61.0 111.513 178.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.47 -18.86 16.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.096 0.474 . . . . 61.0 109.976 178.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -77.36 -59.58 2.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.743 -0.662 . . . . 61.0 111.339 -176.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -155.34 134.81 12.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 61.0 111.358 -177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.411 HD11 ' O ' ' A' ' 77' ' ' GLY . 7.7 mp -112.89 86.46 2.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.905 -0.589 . . . . 61.0 109.438 176.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -65.63 154.02 39.99 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.478 -0.564 . . . . 61.0 109.478 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 p -58.0 -21.71 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.465 0.65 . . . . 61.0 110.846 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.1 m -85.65 -8.79 58.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.693 -0.685 . . . . 61.0 111.033 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 38.4 tpp -92.22 -27.48 17.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.392 -0.367 . . . . 61.0 111.888 -171.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.504 ' H ' HD12 ' A' ' 86' ' ' ILE . 5.0 mp -58.18 -37.67 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.606 0.241 . . . . 61.0 110.91 -177.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 91' ' ' GLN . 29.4 tt0 -49.26 -44.13 43.5 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.123 -0.49 . . . . 61.0 111.417 175.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 88' ' ' LYS . 12.7 mptt -69.27 -30.37 68.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 61.0 110.64 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.636 ' O ' HD22 ' A' ' 92' ' ' LEU . 27.7 m-85 -80.44 -18.49 48.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.025 -0.534 . . . . 61.0 110.686 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -89.76 -30.44 18.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.657 -0.247 . . . . 61.0 111.651 -176.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 87' ' ' GLN . 4.3 pt20 -86.54 17.91 3.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.75 0.31 . . . . 61.0 111.827 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 89' ' ' TYR . 1.5 pt? -75.73 -15.55 60.27 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.188 -0.32 . . . . 61.0 111.391 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 35.39 87.07 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.952 0.901 . . . . 61.0 112.521 -168.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.483 ' HB3' ' HG ' ' A' ' 92' ' ' LEU . 19.9 t-80 -160.75 -31.11 0.06 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.556 -1.202 . . . . 61.0 109.923 -176.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 . . . . . 0 C--O 1.247 0.935 0 N-CA-C 108.719 -0.845 . . . . 61.0 108.719 -172.183 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.791 -0.448 . . . . 61.0 109.791 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -91.38 101.71 14.39 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.901 0.334 . . . . 61.0 111.901 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.7 mt 56.55 -92.01 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.198 0.936 . . . . 61.0 112.395 172.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -138.4 -57.33 0.64 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.587 -0.523 . . . . 61.0 109.587 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 5' ' ' ARG . 38.2 ttt180 -103.51 120.6 41.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.536 -0.756 . . . . 61.0 110.063 178.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -78.36 115.54 20.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.176 -0.465 . . . . 61.0 109.875 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -76.63 -23.4 53.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.34 -0.391 . . . . 61.0 111.2 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.18 166.3 32.05 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.604 -0.808 . . . . 61.0 112.226 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.01 174.46 12.78 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.093 2.529 . . . . 61.0 111.548 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -88.37 -20.06 25.8 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.878 -0.329 . . . . 61.0 110.716 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 6.7 pt20 -149.86 144.95 26.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.997 0.427 . . . . 61.0 111.005 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 m -128.65 157.17 41.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.728 -0.669 . . . . 61.0 110.403 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -90.12 136.76 32.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.825 0.345 . . . . 61.0 111.063 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.734 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.0 mm? -90.97 158.55 41.61 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.46 -0.337 . . . . 61.0 110.095 176.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -74.39 -4.26 15.14 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.383 2.056 . . . . 61.0 111.516 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -102.7 4.03 37.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.173 -0.921 . . . . 61.0 110.364 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.5 -9.76 69.12 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 121.028 -0.606 . . . . 61.0 113.762 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 19' ' ' VAL . 11.2 m -79.65 167.93 20.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.668 0.271 . . . . 61.0 111.095 -178.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.453 ' N ' HG22 ' A' ' 18' ' ' THR . 78.8 t -111.53 132.63 59.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.918 -0.401 . . . . 61.0 109.918 173.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.652 ' HB2' HD21 ' A' ' 14' ' ' LEU . 48.9 tp -113.46 106.67 14.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.264 -0.425 . . . . 61.0 110.123 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 71.3 p -94.78 163.96 13.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.05 -0.523 . . . . 61.0 110.365 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG3' HD11 ' A' ' 49' ' ' LEU . 65.6 mtt180 -70.4 -11.52 60.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.56 -0.291 . . . . 61.0 111.425 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.73 -7.37 43.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.968 0.413 . . . . 61.0 110.386 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' HB3' HD12 ' A' ' 20' ' ' LEU . 34.9 t70 -91.97 -12.09 34.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.024 -0.535 . . . . 61.0 110.293 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.1 139.53 91.08 Favored Pre-proline 0 C--O 1.233 0.212 0 CA-C-N 115.818 -0.628 . . . . 61.0 110.546 174.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.44 138.51 76.75 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.878 2.385 . . . . 61.0 112.274 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -66.05 165.73 23.11 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.495 2.796 . . . . 61.0 113.038 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.1 mt -79.55 -4.57 52.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.688 -0.687 . . . . 61.0 111.773 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -24.34 61.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.406 0.622 . . . . 61.0 109.503 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.507 HG21 ' CD ' ' A' ' 37' ' ' ARG . 69.6 m -79.48 116.13 19.52 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.732 -1.122 . . . . 61.0 112.1 -172.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -116.35 -28.46 6.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.577 -0.738 . . . . 61.0 109.972 172.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -75.24 78.06 2.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.52 0.676 . . . . 61.0 109.326 171.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.489 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 97.5 m95 -71.14 113.15 7.88 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.208 -0.906 . . . . 61.0 111.51 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 33.4 m -103.91 166.14 3.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.428 -0.806 . . . . 61.0 109.595 175.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.42 -41.36 65.95 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.476 0.547 . . . . 61.0 112.476 -173.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.0 m -56.73 -49.64 74.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.218 0.532 . . . . 61.0 111.191 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.507 ' CD ' HG21 ' A' ' 30' ' ' THR . 90.5 mtt-85 -73.8 -35.62 64.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 61.0 110.816 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' ' 33' ' ' TRP . 98.9 mttt -62.69 -43.26 99.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 61.0 110.465 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.42 88.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 61.0 111.243 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.36 90.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.379 -0.373 . . . . 61.0 111.218 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.5 t -67.34 -51.9 47.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.449 -0.341 . . . . 61.0 111.354 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.3 p -66.49 -40.14 85.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.36 . . . . 61.0 111.379 -175.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.3 mttt -66.42 -28.05 68.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.565 0.222 . . . . 61.0 110.691 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.1 82.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.894 0.378 . . . . 61.0 110.591 177.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.89 -42.17 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.141 0.496 . . . . 61.0 110.765 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.67 -27.15 42.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.723 -0.672 . . . . 61.0 111.84 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -102.27 0.28 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.245 0.461 . . . . 61.0 112.245 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.45 21.06 65.23 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.309 -0.948 . . . . 61.0 112.653 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.489 HD11 ' HG3' ' A' ' 22' ' ' ARG . 39.2 tp -74.74 -47.06 33.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.023 -0.732 . . . . 61.0 109.023 176.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.1 pt -132.12 168.93 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.071 -0.968 . . . . 61.0 108.669 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 54' ' ' GLU . 2.4 t -95.67 156.88 16.14 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.056 0.455 . . . . 61.0 110.586 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.483 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 21.9 tt0 -60.9 -39.24 88.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.822 -0.626 . . . . 61.0 110.358 -177.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -58.54 -42.57 88.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.698 -0.683 . . . . 61.0 110.504 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.518 ' H ' HG23 ' A' ' 51' ' ' THR . 32.1 tp10 -57.19 -47.83 80.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.462 -0.79 . . . . 61.0 109.907 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.16 87.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.251 -0.431 . . . . 61.0 111.148 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.565 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 34.4 mt -65.16 -34.07 77.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.231 -0.44 . . . . 61.0 111.015 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -75.79 -59.6 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.6 -0.273 . . . . 61.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.5 ptm180 -64.06 -34.41 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.125 0.417 . . . . 61.0 112.125 -171.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.436 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 38.6 m-85 -102.07 2.12 37.19 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.785 -0.366 . . . . 61.0 111.297 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.1 m 55.3 61.72 2.78 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.345 0.593 . . . . 61.0 110.46 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.565 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 48.4 mt -112.04 148.02 34.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.452 -0.794 . . . . 61.0 110.255 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.3 m -99.07 169.64 9.27 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.053 -0.521 . . . . 61.0 110.102 175.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -58.0 -44.48 87.23 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.465 -0.334 . . . . 61.0 111.366 -175.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.548 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 2.0 pm0 -66.7 -32.73 74.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.612 -0.267 . . . . 61.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.551 ' HG2' HD22 ' A' ' 61' ' ' LEU . 6.9 tp10 -59.34 -60.6 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.032 0.444 . . . . 61.0 109.849 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -61.88 -32.04 72.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.754 -0.657 . . . . 61.0 110.332 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' ' 70' ' ' ARG . . . -62.54 -41.79 99.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 61.0 110.674 176.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 82.7 mt -64.88 -46.35 82.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.475 -0.33 . . . . 61.0 110.472 177.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.6 m0 -56.41 -49.98 72.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 61.0 110.861 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.491 ' HA ' HG21 ' A' ' 42' ' ' VAL . 11.1 ptm180 -70.28 -22.87 62.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 61.0 111.108 -177.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.662 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 56.8 m -84.06 -29.22 27.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.804 0.335 . . . . 61.0 110.955 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -81.58 -32.23 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.852 0.358 . . . . 61.0 111.386 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -100.14 -63.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.401 -0.363 . . . . 61.0 111.505 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.13 -38.82 63.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.488 -0.323 . . . . 61.0 111.828 -172.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 71' ' ' SER . . . -90.18 8.59 32.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.988 0.423 . . . . 61.0 111.235 -177.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 13.2 t-160 -73.98 109.23 7.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.905 -0.589 . . . . 61.0 109.908 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.68 76.78 0.17 Allowed Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.081 -0.808 . . . . 61.0 111.081 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -78.52 -7.73 57.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.876 0.37 . . . . 61.0 110.732 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -68.19 -73.68 0.14 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 61.0 109.976 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.415 ' C ' HD12 ' A' ' 81' ' ' LEU . . . -175.58 80.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.207 -0.906 . . . . 61.0 109.199 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.497 ' HB3' HG13 ' A' ' 86' ' ' ILE . 8.6 mp -126.75 103.8 7.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.831 -0.622 . . . . 61.0 110.439 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.498 ' O ' HD12 ' A' ' 86' ' ' ILE . 56.7 tttp -76.12 157.7 32.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.579 -0.897 . . . . 61.0 108.579 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.426 ' HA ' HD12 ' A' ' 86' ' ' ILE . 7.7 p -44.88 -42.18 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.384 0.513 . . . . 61.0 112.384 -176.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.542 HG22 ' HE2' ' A' ' 88' ' ' LYS . 8.7 m -65.41 -42.03 92.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.206 0.527 . . . . 61.0 111.295 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.5 mtt -59.65 -43.57 93.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.452 -0.795 . . . . 61.0 110.569 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 82' ' ' LYS . 3.0 mt -59.86 -44.34 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 61.0 110.924 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -59.77 -34.06 72.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 61.0 110.603 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.542 ' HE2' HG22 ' A' ' 84' ' ' THR . 67.7 mttm -77.62 -9.19 58.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.419 -0.355 . . . . 61.0 111.874 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -106.42 -12.73 15.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.934 0.397 . . . . 61.0 110.826 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 86' ' ' ILE . 28.4 mmt180 -109.41 -40.42 4.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.943 0.402 . . . . 61.0 110.803 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -102.67 27.07 7.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.348 -0.612 . . . . 61.0 109.348 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.501 ' HG ' ' N ' ' A' ' 93' ' ' HIS . 2.5 pt? -52.19 -50.24 62.27 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.21 -0.905 . . . . 61.0 111.953 -175.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.501 ' N ' ' HG ' ' A' ' 92' ' ' LEU . 20.3 t-80 45.19 70.83 0.31 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.623 0.577 . . . . 61.0 110.528 -176.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -112.81 131.61 55.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.914 -0.585 . . . . 61.0 110.949 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.1 t60 . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.691 -0.671 . . . . 61.0 109.211 175.938 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.018 -0.364 . . . . 61.0 110.018 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -93.82 95.72 9.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.43 0.633 . . . . 61.0 109.949 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.503 ' HG ' ' H ' ' A' ' 5' ' ' ARG . 33.2 tp -141.56 151.27 43.06 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.545 -1.207 . . . . 61.0 108.557 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.99 -24.38 62.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.759 0.314 . . . . 61.0 110.544 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.503 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 15.5 ttm180 -100.3 92.79 5.35 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.348 -0.982 . . . . 61.0 108.348 168.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.717 HG22 ' H ' ' A' ' 8' ' ' GLY . 10.7 p -75.21 143.14 13.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.552 -0.749 . . . . 61.0 112.03 -167.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -95.93 -16.41 21.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 61.0 110.109 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.717 ' H ' HG22 ' A' ' 6' ' ' VAL . . . 162.62 144.74 4.11 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.48 -0.782 . . . . 61.0 111.501 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.29 146.55 96.27 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.736 2.29 . . . . 61.0 111.558 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 12.0 ptt180 -72.72 -27.4 62.03 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.619 -0.433 . . . . 61.0 110.852 -177.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.563 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.5 pt20 -153.98 144.07 22.02 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.368 0.604 . . . . 61.0 112.008 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 m -117.47 157.68 18.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.408 -0.815 . . . . 61.0 109.993 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.7 m -99.34 140.44 33.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.023 0.439 . . . . 61.0 110.53 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -93.39 148.33 35.36 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.624 -0.51 . . . . 61.0 109.624 177.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.17 -17.51 59.98 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.452 2.102 . . . . 61.0 110.587 174.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.1 -11.37 59.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.887 -1.051 . . . . 61.0 110.554 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.13 -1.42 67.5 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 116.002 -0.544 . . . . 61.0 111.872 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.0 m -80.76 163.13 23.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.617 -0.291 . . . . 61.0 110.228 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -119.48 123.35 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.965 -0.383 . . . . 61.0 109.965 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 60.4 tp -113.17 109.64 19.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.207 -0.451 . . . . 61.0 110.08 -178.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 36.2 p -108.51 165.62 11.39 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.341 -0.39 . . . . 61.0 110.996 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HG3' HD11 ' A' ' 49' ' ' LEU . 33.9 mtp180 -62.79 -19.86 64.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.58 . . . . 61.0 111.224 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.7 -2.7 31.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 61.0 110.897 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -97.05 -15.63 20.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 61.0 110.123 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 mt -50.76 140.39 19.81 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 115.951 -0.568 . . . . 61.0 110.706 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.36 147.41 77.57 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.939 2.426 . . . . 61.0 112.192 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.36 153.17 79.47 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.478 2.119 . . . . 61.0 112.606 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 mt -69.79 -16.51 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.639 -0.709 . . . . 61.0 110.19 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.93 -22.92 65.93 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.186 -0.915 . . . . 61.0 110.808 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.3 m -78.61 106.82 10.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.133 -0.485 . . . . 61.0 111.398 -177.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 15.9 tpt180 -105.08 -34.92 7.8 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.666 -0.697 . . . . 61.0 109.773 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 33.2 ptt180 -78.22 76.94 4.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 122.354 1.073 . . . . 61.0 109.07 171.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -65.4 121.39 14.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.485 -1.234 . . . . 61.0 112.327 -175.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.0 m -91.0 160.86 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.767 -0.651 . . . . 61.0 109.429 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.79 -40.46 69.47 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.824 0.305 . . . . 61.0 111.824 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m -60.58 -41.18 94.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.361 . . . . 61.0 111.557 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -82.05 -30.69 31.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 61.0 111.22 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -64.03 -42.51 97.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.957 0.408 . . . . 61.0 109.912 172.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.39 83.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.573 -0.739 . . . . 61.0 110.998 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.22 80.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.449 -0.342 . . . . 61.0 111.023 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.62 -47.9 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.442 -0.344 . . . . 61.0 111.307 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.9 p -67.09 -40.12 84.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.503 -0.317 . . . . 61.0 111.306 -176.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.0 mttt -69.95 -24.57 63.37 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.079 -0.249 . . . . 61.0 110.728 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -63.76 -49.61 72.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 61.0 110.323 177.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 62.8 t -65.64 -43.23 93.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.182 178.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.02 -41.97 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.402 -0.817 . . . . 61.0 112.349 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -86.63 -0.75 56.81 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.88 0.326 . . . . 61.0 111.88 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.65 15.85 65.02 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.504 -0.855 . . . . 61.0 112.874 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.418 HD22 ' HG ' ' A' ' 20' ' ' LEU . 48.5 tp -68.73 -53.11 23.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.423 0.63 . . . . 61.0 109.489 177.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 34.4 pt -129.35 169.61 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.327 -0.851 . . . . 61.0 109.39 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 54' ' ' GLU . 10.2 t -95.5 159.53 14.95 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 110.126 -0.324 . . . . 61.0 110.126 175.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 29.6 tt0 -63.91 -42.7 97.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 61.0 110.647 -174.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -53.49 -40.73 65.58 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.823 -0.626 . . . . 61.0 110.336 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.56 ' H ' HG23 ' A' ' 51' ' ' THR . 16.9 tp10 -61.2 -51.85 67.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.308 -0.86 . . . . 61.0 110.294 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.14 -46.32 82.81 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.151 -0.477 . . . . 61.0 111.358 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 66' ' ' PHE . 47.0 mt -65.64 -44.83 85.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.682 -0.69 . . . . 61.0 111.232 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.63 -48.29 67.17 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.314 0.487 . . . . 61.0 112.314 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm180 -64.79 -39.88 94.31 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.808 0.299 . . . . 61.0 111.808 -175.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -96.26 1.72 52.32 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.102 -0.239 . . . . 61.0 111.239 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.7 m 60.76 32.1 20.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.622 0.725 . . . . 61.0 110.661 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.568 HD22 ' HG2' ' A' ' 65' ' ' GLU . 84.5 mt -87.88 153.13 21.56 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.29 -0.868 . . . . 61.0 109.526 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 m -95.74 159.64 14.88 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.611 -0.515 . . . . 61.0 109.611 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.563 ' HG2' ' HE1' ' A' ' 94' ' ' HIS . 31.2 tt0 -59.96 -34.11 72.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.032 0.444 . . . . 61.0 110.641 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.55 -39.37 76.52 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.576 -0.738 . . . . 61.0 111.093 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.568 ' HG2' HD22 ' A' ' 61' ' ' LEU . 15.8 tp10 -65.12 -55.9 16.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.821 -0.627 . . . . 61.0 110.114 -178.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.533 ' HB2' HD21 ' A' ' 56' ' ' LEU . 47.0 t80 -59.77 -31.58 69.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.605 -0.725 . . . . 61.0 110.883 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.2 94.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.03 -0.532 . . . . 61.0 110.442 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.39 -42.56 87.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.952 -0.567 . . . . 61.0 110.485 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -56.78 -54.42 46.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 61.0 111.339 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.479 ' HA ' HG21 ' A' ' 42' ' ' VAL . 13.2 ptm180 -64.81 -26.95 68.56 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.072 -0.251 . . . . 61.0 111.164 -177.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.5 m -75.28 -35.66 61.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.894 0.378 . . . . 61.0 110.642 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.92 -22.98 29.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 61.0 111.898 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.2 t -101.9 -57.84 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.031 0.382 . . . . 61.0 112.031 -177.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.97 -45.15 74.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.928 0.394 . . . . 61.0 110.833 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.02 -66.81 0.86 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.789 -0.449 . . . . 61.0 109.789 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 61.1 t60 72.97 -7.47 1.47 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.919 0.762 . . . . 61.0 111.697 174.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.01 98.66 0.13 Allowed Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.471 -0.871 . . . . 61.0 112.267 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.514 ' HA ' ' OH ' ' A' ' 89' ' ' TYR . 9.8 pt-20 -84.7 31.77 0.53 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.598 0.713 . . . . 61.0 110.122 177.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -83.27 -36.24 24.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.125 -0.943 . . . . 61.0 110.375 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.33 100.43 7.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.575 -0.738 . . . . 61.0 110.536 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 mp -87.47 78.87 8.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.994 0.426 . . . . 61.0 111.053 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.513 ' O ' HD12 ' A' ' 86' ' ' ILE . 88.2 tttt -84.92 156.5 21.19 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.572 -0.899 . . . . 61.0 108.572 173.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.497 ' HA ' HD13 ' A' ' 86' ' ' ILE . 9.9 p -52.31 -32.24 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.888 0.375 . . . . 61.0 111.942 -177.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.3 m -74.45 -16.47 60.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.232 0.539 . . . . 61.0 111.21 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.6 mmt -84.37 -32.67 24.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.202 -0.454 . . . . 61.0 111.738 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.513 HD12 ' O ' ' A' ' 82' ' ' LYS . 4.3 mp -60.19 -40.07 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.82 -0.173 . . . . 61.0 111.382 -174.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -62.75 -32.16 73.24 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.819 -0.352 . . . . 61.0 110.722 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -73.98 -30.81 62.69 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.042 -0.263 . . . . 61.0 110.61 177.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.514 ' OH ' ' HA ' ' A' ' 78' ' ' GLU . 22.8 m-85 -72.41 -27.33 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 61.0 110.225 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -72.92 -39.59 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.512 . . . . 61.0 109.936 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -76.0 -18.4 59.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.638 0.733 . . . . 61.0 109.994 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 tp -70.79 -29.63 65.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.257 -0.883 . . . . 61.0 111.021 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -44.35 113.68 0.57 Allowed 'General case' 0 N--CA 1.465 0.323 0 O-C-N 124.273 0.983 . . . . 61.0 112.182 -173.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.563 ' HE1' ' HG2' ' A' ' 63' ' ' GLU . 33.5 t-80 -131.4 42.15 3.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.444 -0.798 . . . . 61.0 109.697 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.2 t60 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 115.495 -0.775 . . . . 61.0 109.058 178.833 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.821 0.343 . . . . 61.0 110.794 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -134.6 80.77 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.403 -0.362 . . . . 61.0 110.809 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.1 mm? 70.52 -43.97 0.56 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.663 0.785 . . . . 61.0 113.078 174.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -77.73 106.57 9.63 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.972 0.415 . . . . 61.0 110.483 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -146.98 140.8 25.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.791 -0.64 . . . . 61.0 110.493 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -88.16 130.3 37.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.811 -0.811 . . . . 61.0 108.811 170.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.83 -56.42 21.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.105 0.479 . . . . 61.0 110.596 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.68 105.5 1.63 Allowed Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.826 -0.702 . . . . 61.0 111.775 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -56.56 144.79 83.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.733 2.289 . . . . 61.0 111.559 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 10' ' ' ARG . 55.0 mtt180 -82.13 -29.14 31.83 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.971 -0.292 . . . . 61.0 111.379 -174.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 18.0 pt20 -152.01 144.24 23.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.102 0.477 . . . . 61.0 111.658 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.5 m -128.1 -177.75 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.447 -0.797 . . . . 61.0 109.973 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 m -119.0 146.99 44.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.726 0.298 . . . . 61.0 110.638 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.82 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.0 mm? -94.62 159.09 34.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 110.129 -0.323 . . . . 61.0 110.129 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.08 -13.45 33.89 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.296 1.997 . . . . 61.0 110.041 171.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.409 ' OD1' ' HB3' ' A' ' 14' ' ' LEU . 2.5 m-20 -75.21 -15.44 60.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.508 -1.223 . . . . 61.0 110.092 176.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.49 2.56 63.45 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.632 -0.713 . . . . 61.0 111.723 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.688 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.64 171.21 10.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.703 0.287 . . . . 61.0 111.028 -177.817 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.4 t -109.2 137.28 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.421 -0.354 . . . . 61.0 110.126 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.82 ' HB2' HD21 ' A' ' 14' ' ' LEU . 57.1 tp -126.33 101.23 6.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.998 0.427 . . . . 61.0 110.51 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 1.2 m -91.96 166.89 12.47 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.408 -0.59 . . . . 61.0 109.408 176.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.622 ' NH1' HG22 ' A' ' 50' ' ' ILE . 69.9 mtp85 -69.03 -21.66 64.1 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.77 -0.456 . . . . 61.0 109.77 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.48 -7.66 59.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.832 -0.622 . . . . 61.0 111.103 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.05 -8.7 55.17 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.392 -0.367 . . . . 61.0 110.438 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 68.0 mt -64.75 146.9 98.39 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.927 -0.579 . . . . 61.0 110.647 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HB3' ' HD3' ' A' ' 37' ' ' ARG . 37.0 Cg_endo -64.82 148.19 89.87 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.766 2.311 . . . . 61.0 112.257 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.478 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 9.7 Cg_endo -53.98 143.7 60.05 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.87 2.38 . . . . 61.0 112.508 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.52 -24.77 67.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.806 -0.634 . . . . 61.0 111.588 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.93 -6.56 57.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.128 -0.487 . . . . 61.0 111.23 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.478 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 99.9 m -68.24 102.64 1.4 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.335 0.588 . . . . 61.0 110.934 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 11.6 tpt180 -103.63 -26.25 12.86 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.824 -1.176 . . . . 61.0 107.824 172.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -77.2 74.53 3.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.521 -1.218 . . . . 61.0 108.979 172.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -72.52 124.99 26.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.257 -0.883 . . . . 61.0 112.192 -175.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -105.5 158.43 6.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.241 -0.89 . . . . 61.0 109.358 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.05 -40.18 63.8 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.063 0.394 . . . . 61.0 112.063 -176.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -63.85 -37.81 88.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.472 -0.331 . . . . 61.0 111.382 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HD3' ' HB3' ' A' ' 26' ' ' PRO . 73.1 mtt180 -80.59 -28.98 36.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.733 0.302 . . . . 61.0 110.585 -178.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -64.0 -46.57 83.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.215 -0.448 . . . . 61.0 109.874 171.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.28 80.19 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.417 -0.811 . . . . 61.0 110.911 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.57 93.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.3 -0.409 . . . . 61.0 111.161 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.79 -50.26 50.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.442 -0.344 . . . . 61.0 111.265 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.564 HG21 ' HA ' ' A' ' 70' ' ' ARG . 11.8 p -66.75 -40.92 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 61.0 111.263 -175.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.684 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.9 mttt -67.94 -29.24 68.25 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.348 -0.241 . . . . 61.0 110.348 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.42 92.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.494 -0.321 . . . . 61.0 110.864 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.497 HG22 HG13 ' A' ' 50' ' ' ILE . 44.1 t -70.35 -42.19 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.002 0.429 . . . . 61.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 42' ' ' VAL . 57.5 mt -64.04 -29.33 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.201 -0.454 . . . . 61.0 111.424 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -90.6 -9.2 47.9 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.228 -0.295 . . . . 61.0 111.382 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.76 27.7 45.49 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.456 -0.878 . . . . 61.0 112.223 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD22 ' HG ' ' A' ' 20' ' ' LEU . 36.4 tp -78.71 -44.55 23.29 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.965 -0.754 . . . . 61.0 108.965 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.622 HG22 ' NH1' ' A' ' 22' ' ' ARG . 29.4 pt -130.7 164.19 34.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.876 -1.056 . . . . 61.0 108.632 174.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 54' ' ' GLU . 3.1 t -91.5 152.07 20.49 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.143 0.497 . . . . 61.0 110.204 176.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 10.8 tt0 -61.93 -35.94 79.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.654 -0.703 . . . . 61.0 110.324 -175.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -33.57 76.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.522 -0.763 . . . . 61.0 110.005 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 52.0 tt0 -69.35 -43.72 73.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.932 -0.576 . . . . 61.0 110.285 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.74 94.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.964 0.411 . . . . 61.0 110.813 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 44.6 mt -66.13 -33.0 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.756 -0.656 . . . . 61.0 110.96 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -78.8 -53.64 6.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.296 -0.411 . . . . 61.0 111.218 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.1 ptm180 -67.61 -30.23 69.76 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.176 -0.465 . . . . 61.0 111.997 -174.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.478 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 52.9 m-85 -102.96 0.93 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.798 -0.361 . . . . 61.0 111.379 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 m 56.41 58.48 4.2 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.633 0.73 . . . . 61.0 110.52 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.55 HD22 ' HG2' ' A' ' 65' ' ' GLU . 93.8 mt -117.29 -175.69 2.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.16 -0.927 . . . . 61.0 110.084 -178.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -135.69 163.03 31.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.816 -0.629 . . . . 61.0 109.741 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -51.48 -47.73 63.1 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.324 0.39 . . . . 61.0 111.128 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 16.4 pt-20 -53.8 -37.49 63.57 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.511 0.507 . . . . 61.0 111.452 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.55 ' HG2' HD22 ' A' ' 61' ' ' LEU . 10.9 tp10 -70.67 -58.94 3.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.095 -0.502 . . . . 61.0 110.046 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -61.91 -33.37 74.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.955 -0.566 . . . . 61.0 111.09 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HA ' ' HD2' ' A' ' 70' ' ' ARG . . . -61.71 -35.52 78.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 61.0 110.876 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 95.3 mt -72.74 -42.9 63.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.395 -0.366 . . . . 61.0 110.048 176.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -55.5 -50.47 69.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 61.0 110.812 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.564 ' HA ' HG21 ' A' ' 42' ' ' VAL . 6.9 ptm180 -66.35 -31.23 71.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 61.0 110.76 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.544 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 6.9 t -75.6 -30.39 59.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.847 0.356 . . . . 61.0 110.752 -178.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -88.18 -42.96 11.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.439 -0.346 . . . . 61.0 111.565 -178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.5 t -81.06 -55.4 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 111.889 0.329 . . . . 61.0 111.889 -174.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.581 ' HB3' HD12 ' A' ' 92' ' ' LEU . . . -73.05 -38.7 66.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.819 0.342 . . . . 61.0 111.535 -174.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.584 ' HA ' ' HE1' ' A' ' 89' ' ' TYR . . . -89.71 24.64 2.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.086 0.47 . . . . 61.0 110.953 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 48.4 t60 -79.71 -17.17 54.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 61.0 110.09 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.91 52.45 3.96 Favored Glycine 0 C--N 1.332 0.356 0 N-CA-C 111.169 -0.772 . . . . 61.0 111.169 174.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 78' ' ' GLU . 8.5 pt-20 -89.86 -13.25 36.86 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 123.198 0.599 . . . . 61.0 111.698 -172.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -89.02 -18.98 26.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.22 -0.445 . . . . 61.0 110.612 -173.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.38 105.99 2.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.768 -0.651 . . . . 61.0 110.248 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.56 ' HG ' ' HE2' ' A' ' 89' ' ' TYR . 11.1 mp -77.48 81.7 3.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.211 0.529 . . . . 61.0 110.519 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.634 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 24.3 tptm -69.72 153.95 42.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.389 -0.967 . . . . 61.0 108.389 172.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.482 ' HA ' HD13 ' A' ' 86' ' ' ILE . 9.4 p -50.57 -35.23 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 120.921 0.391 . . . . 61.0 111.556 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.608 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 11.7 m -63.65 -36.39 83.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.043 -0.526 . . . . 61.0 110.782 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.634 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 0.8 OUTLIER -68.13 -35.53 78.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.96 -0.564 . . . . 61.0 110.63 -177.531 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 82' ' ' LYS . 4.4 mp -64.62 -41.05 91.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.737 -0.468 . . . . 61.0 109.737 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -60.4 -41.72 94.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.872 -0.604 . . . . 61.0 109.763 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 84' ' ' THR . 13.2 mmtt -64.61 -38.74 92.03 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.948 -0.569 . . . . 61.0 110.436 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.584 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 18.6 m-85 -63.36 -35.33 80.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.475 -0.33 . . . . 61.0 111.11 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -74.56 -41.27 60.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.516 -0.311 . . . . 61.0 111.067 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -84.52 -7.04 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.257 0.551 . . . . 61.0 110.627 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' A' ' 74' ' ' ALA . 7.4 tt -70.15 -32.85 71.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.505 -0.77 . . . . 61.0 109.094 171.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -82.41 128.86 34.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.384 -0.825 . . . . 61.0 110.404 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -125.9 179.98 4.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.87 -0.604 . . . . 61.0 110.621 177.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.6 p80 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.793 -0.622 . . . . 61.0 109.349 179.45 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.691 ' HB3' ' HB3' ' A' ' 5' ' ' ARG . 12.7 tpt . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 109.563 -0.532 . . . . 61.0 109.563 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -60.03 130.92 49.11 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 110.113 -0.328 . . . . 61.0 110.113 177.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt 66.88 35.13 5.0 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.618 0.574 . . . . 61.0 110.16 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 67.69 -82.93 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.194 -0.912 . . . . 61.0 110.558 -175.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.691 ' HB3' ' HB3' ' A' ' 1' ' ' MET . 19.4 tpp180 64.16 124.77 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.931 0.769 . . . . 61.0 111.33 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.1 t -86.76 110.67 20.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.071 -0.513 . . . . 61.0 111.733 -174.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -136.78 119.13 15.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.758 -0.656 . . . . 61.0 109.504 171.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.65 -148.21 10.41 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.564 -0.827 . . . . 61.0 111.795 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.75 140.3 26.03 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.959 2.439 . . . . 61.0 112.085 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -91.98 -10.63 38.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.263 -0.426 . . . . 61.0 110.105 175.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.5 pt20 -154.12 136.14 14.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.796 -0.638 . . . . 61.0 110.756 175.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 m -118.4 161.71 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.527 -0.761 . . . . 61.0 110.724 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -95.9 140.54 30.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.973 -0.558 . . . . 61.0 110.804 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.697 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.3 mm? -96.03 152.92 39.23 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.717 -0.475 . . . . 61.0 109.717 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -69.41 -9.59 26.64 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.269 1.979 . . . . 61.0 110.555 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.77 -5.43 59.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.645 -1.161 . . . . 61.0 109.824 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.51 17.3 64.42 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.67 -0.695 . . . . 61.0 112.232 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -101.05 168.69 9.44 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.107 -0.331 . . . . 61.0 110.107 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.12 127.57 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.639 -0.504 . . . . 61.0 109.639 175.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 35.1 tp -115.63 107.83 15.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.278 -0.419 . . . . 61.0 110.268 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.583 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 80.6 p -94.3 168.01 11.17 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.788 -0.449 . . . . 61.0 109.788 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.631 ' HE ' HG22 ' A' ' 50' ' ' ILE . 49.5 mtp180 -70.98 -10.56 59.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.898 0.38 . . . . 61.0 110.233 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.86 -12.46 22.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.865 -0.607 . . . . 61.0 110.72 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -85.14 -8.16 58.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.01 0.433 . . . . 61.0 110.072 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.518 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 65.6 mt -63.52 140.69 97.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.599 -0.728 . . . . 61.0 110.333 174.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.01 142.45 65.09 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.146 2.564 . . . . 61.0 111.837 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.09 156.88 52.31 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.589 2.192 . . . . 61.0 112.741 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 mt -67.33 -21.7 65.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.863 -0.608 . . . . 61.0 110.238 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.47 -20.61 66.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.207 -0.906 . . . . 61.0 111.311 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.621 HG21 ' HD3' ' A' ' 37' ' ' ARG . 52.9 m -67.35 115.21 6.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.478 0.656 . . . . 61.0 112.511 -178.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 15.7 tpt180 -108.01 -40.76 5.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.486 -0.779 . . . . 61.0 109.506 168.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -69.56 87.04 0.47 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.486 0.66 . . . . 61.0 110.381 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.459 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 97.1 m95 -76.79 100.09 5.36 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.394 -0.821 . . . . 61.0 111.489 177.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.15 172.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.824 -0.625 . . . . 61.0 109.718 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.3 -41.4 84.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.71 0.291 . . . . 61.0 111.45 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -58.87 -50.33 74.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.073 -0.512 . . . . 61.0 111.218 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.621 ' HD3' HG21 ' A' ' 30' ' ' THR . 89.0 mtt180 -70.4 -37.71 74.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.977 -0.556 . . . . 61.0 111.501 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' HE2' ' O ' ' A' ' 33' ' ' TRP . 63.7 mttm -61.47 -43.17 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 61.0 110.592 176.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -61.54 -42.93 99.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.848 -0.615 . . . . 61.0 111.357 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.68 87.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.446 -0.343 . . . . 61.0 111.144 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.95 -49.43 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 61.0 111.337 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.9 p -66.85 -38.66 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.531 -0.304 . . . . 61.0 111.308 -176.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.697 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.8 mttt -67.55 -27.1 66.67 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.609 0.242 . . . . 61.0 110.708 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.476 ' HB2' HD21 ' A' ' 25' ' ' LEU . . . -65.26 -50.82 64.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.359 . . . . 61.0 111.058 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 50' ' ' ILE . 54.5 t -67.18 -40.55 85.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.326 0.584 . . . . 61.0 109.904 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.412 HG23 ' CD ' ' A' ' 91' ' ' GLN . 4.3 mt -57.6 -37.5 58.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 114.995 -1.002 . . . . 61.0 112.241 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -95.26 4.26 53.69 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.663 -0.415 . . . . 61.0 111.698 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.76 15.77 78.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 61.0 112.888 176.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.4 tp -65.91 -51.19 60.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.685 0.755 . . . . 61.0 109.446 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.631 HG22 ' HE ' ' A' ' 22' ' ' ARG . 37.4 pt -125.17 168.36 18.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.821 -1.081 . . . . 61.0 108.976 175.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.516 HG23 ' H ' ' A' ' 54' ' ' GLU . 6.1 t -90.54 152.42 20.92 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.438 0.637 . . . . 61.0 110.845 177.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 17.6 tt0 -56.89 -38.86 73.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.954 -1.021 . . . . 61.0 110.555 -177.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 53' ' ' ARG . 16.4 mmt180 -74.9 -21.15 59.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.424 -0.807 . . . . 61.0 111.152 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 42.5 tt0 -70.63 -45.94 64.27 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.484 -0.561 . . . . 61.0 109.484 175.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.48 93.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.733 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 32.7 mt -68.06 -26.51 65.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.616 . . . . 61.0 110.8 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -85.21 -55.99 3.76 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.965 -0.294 . . . . 61.0 111.638 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.6 ptm180 -65.09 -24.18 67.37 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.226 0.454 . . . . 61.0 112.226 -174.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.518 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 38.2 m-85 -114.29 4.87 15.58 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.63 -0.428 . . . . 61.0 111.155 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 p 47.93 63.12 2.16 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.912 0.863 . . . . 61.0 110.756 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 85.2 mt -109.21 147.49 32.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.858 -1.064 . . . . 61.0 109.686 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.431 ' HB3' ' OE1' ' A' ' 64' ' ' GLU . 21.7 m -89.52 156.96 18.29 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.038 -0.528 . . . . 61.0 109.918 177.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -57.92 -41.32 82.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.524 -0.762 . . . . 61.0 110.752 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.552 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.8 pm0 -68.57 -32.48 72.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.808 -0.633 . . . . 61.0 110.819 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -62.7 -56.91 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.51 -0.552 . . . . 61.0 109.51 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.09 -33.2 73.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.998 -0.546 . . . . 61.0 110.767 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 70' ' ' ARG . . . -59.44 -40.83 88.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 61.0 110.534 176.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 90.7 mt -65.8 -46.7 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.564 177.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -52.64 -48.84 66.15 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.089 -0.505 . . . . 61.0 111.101 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HA ' HG21 ' A' ' 42' ' ' VAL . 8.4 ptm180 -72.0 -30.79 65.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.406 -0.361 . . . . 61.0 110.783 -176.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 27.2 m -76.47 -17.89 59.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.976 0.417 . . . . 61.0 110.797 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.67 -42.66 8.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 61.0 111.511 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -89.65 -52.84 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.031 0.382 . . . . 61.0 112.031 -175.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.31 -28.3 56.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.815 0.34 . . . . 61.0 111.291 -175.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 71' ' ' SER . . . -91.26 8.79 34.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.174 -0.466 . . . . 61.0 110.645 177.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -75.31 113.54 12.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.754 -0.832 . . . . 61.0 108.754 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.24 19.66 7.04 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.8 -0.714 . . . . 61.0 111.719 -174.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.77 -5.02 22.57 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.294 0.568 . . . . 61.0 110.987 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -91.8 -2.27 56.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.745 -0.662 . . . . 61.0 110.376 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -155.32 91.09 1.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.844 -0.616 . . . . 61.0 110.041 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.54 ' HG ' ' HE2' ' A' ' 89' ' ' TYR . 11.2 mp -74.17 83.89 1.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.388 0.614 . . . . 61.0 111.64 -176.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 85' ' ' MET . 87.1 tttt -73.3 156.82 38.05 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.016 -1.105 . . . . 61.0 108.016 168.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.39 -34.17 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 121.269 0.557 . . . . 61.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 5.7 m -67.04 -21.33 65.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.574 -0.739 . . . . 61.0 111.577 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.42 ' HB2' ' O ' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -78.53 -40.5 34.86 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.355 -0.384 . . . . 61.0 110.142 178.548 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.429 ' H ' HD12 ' A' ' 86' ' ' ILE . 4.0 mp -65.34 -40.91 89.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.413 -0.358 . . . . 61.0 110.186 -177.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.659 ' O ' ' HG2' ' A' ' 91' ' ' GLN . 6.1 tp-100 -55.62 -50.09 71.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.977 -0.556 . . . . 61.0 109.52 174.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.599 ' O ' ' HB2' ' A' ' 92' ' ' LEU . 35.6 mtmm -59.37 -35.69 74.37 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.858 -0.61 . . . . 61.0 111.416 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.54 ' HE2' ' HG ' ' A' ' 81' ' ' LEU . 20.5 m-85 -71.29 -29.25 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 61.0 111.168 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -77.23 -26.95 53.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.999 0.428 . . . . 61.0 110.447 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.659 ' HG2' ' O ' ' A' ' 87' ' ' GLN . 1.5 pt20 -99.97 14.83 29.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.987 0.899 . . . . 61.0 109.452 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.599 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 5.4 tt -114.71 117.09 29.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.716 -1.129 . . . . 61.0 108.709 177.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -94.75 113.55 25.34 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.811 -0.44 . . . . 61.0 109.811 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -138.26 175.28 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.065 -0.516 . . . . 61.0 110.564 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 p80 . . . . . 0 C--O 1.246 0.876 0 N-CA-C 109.403 -0.592 . . . . 61.0 109.403 172.757 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 111.482 0.178 . . . . 61.0 111.482 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -136.79 111.37 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 61.0 111.474 -171.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.8 mt -92.15 104.27 16.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.923 -0.58 . . . . 61.0 110.221 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -75.42 -31.22 60.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.67 -0.695 . . . . 61.0 109.375 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.4 ttt-85 -134.29 100.45 4.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.502 -0.772 . . . . 61.0 109.041 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.77 93.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.144 0.497 . . . . 61.0 110.778 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.418 ' HB3' HH12 ' A' ' 10' ' ' ARG . 15.6 t70 -86.59 56.1 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.182 -0.673 . . . . 61.0 109.182 177.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.451 ' HA3' ' HD2' ' A' ' 22' ' ' ARG . . . 66.19 178.12 8.37 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.206 -0.907 . . . . 61.0 112.709 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.557 ' HD2' HD12 ' A' ' 49' ' ' LEU . 1.3 Cg_endo -84.25 19.85 1.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.091 2.527 . . . . 61.0 111.55 175.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.418 HH12 ' HB3' ' A' ' 7' ' ' ASP . 4.9 mmp_? 72.14 -55.05 0.68 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.686 0.794 . . . . 61.0 111.267 -176.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.7 pt20 -147.71 151.2 35.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.761 0.315 . . . . 61.0 110.956 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.2 m -130.01 165.66 29.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.575 . . . . 61.0 110.403 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.7 m -102.37 142.36 33.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.972 0.415 . . . . 61.0 110.949 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.677 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.1 mm? -96.03 151.15 38.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.287 -0.415 . . . . 61.0 109.932 176.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -69.11 -12.69 34.76 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.121 1.881 . . . . 61.0 110.016 171.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.91 -7.22 55.14 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.431 -1.259 . . . . 61.0 109.464 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.0 14.16 70.13 Favored Glycine 0 C--N 1.334 0.458 0 CA-C-N 115.776 -0.647 . . . . 61.0 112.332 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.589 ' HB ' HD23 ' A' ' 14' ' ' LEU . 2.1 m -98.96 167.71 10.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.57 0.224 . . . . 61.0 110.807 -177.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.3 t -114.02 123.55 69.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.682 -0.488 . . . . 61.0 109.682 174.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.677 ' HB2' HD21 ' A' ' 14' ' ' LEU . 46.8 tp -116.43 115.45 25.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.041 0.448 . . . . 61.0 110.229 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 8.7 m -107.64 161.54 14.77 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.921 -0.582 . . . . 61.0 110.18 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.604 ' NH1' HG22 ' A' ' 50' ' ' ILE . 75.1 mtp85 -65.92 -25.1 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.684 0.278 . . . . 61.0 111.59 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.39 -5.06 50.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.877 0.37 . . . . 61.0 110.566 176.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' HB3' ' H ' ' A' ' 21' ' ' SER . 35.4 t70 -88.71 -16.5 32.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.179 0.514 . . . . 61.0 109.85 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.8 mt -55.77 146.89 44.59 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 115.273 -0.876 . . . . 61.0 110.525 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.06 149.12 64.63 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.934 2.423 . . . . 61.0 112.477 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.606 ' O ' HG22 ' A' ' 30' ' ' THR . 19.4 Cg_endo -60.7 157.09 39.09 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.697 2.265 . . . . 61.0 111.56 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 58' ' ' ARG . 48.9 mt -74.15 -6.71 49.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.101 0.477 . . . . 61.0 110.931 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.9 -13.2 54.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.813 -0.63 . . . . 61.0 111.764 -175.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 27' ' ' PRO . 7.2 t -71.95 111.47 7.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.894 0.854 . . . . 61.0 112.513 -171.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 16.1 mmm180 -104.56 -29.75 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.355 -0.839 . . . . 61.0 109.301 168.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -79.98 71.72 6.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.903 0.858 . . . . 61.0 109.386 174.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -67.1 103.29 1.16 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.011 -0.995 . . . . 61.0 112.087 -176.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 m -82.65 163.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.778 -0.646 . . . . 61.0 109.616 172.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.18 81.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 61.0 111.186 -176.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 m -58.56 -37.09 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 61.0 111.458 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -80.14 -41.56 25.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.63 -0.259 . . . . 61.0 111.075 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -61.39 -45.3 94.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 61.0 110.749 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.35 91.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.852 -0.613 . . . . 61.0 111.075 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.45 80.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.451 -0.341 . . . . 61.0 111.013 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.3 t -62.79 -49.62 82.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.151 -0.477 . . . . 61.0 111.266 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.576 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.0 p -68.75 -41.25 82.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.378 -0.373 . . . . 61.0 111.225 -176.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.527 ' HD3' HD12 ' A' ' 14' ' ' LEU . 44.0 mttm -65.56 -29.87 70.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.622 0.249 . . . . 61.0 110.354 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -61.95 -45.64 92.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 61.0 110.6 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.424 HG22 HG13 ' A' ' 50' ' ' ILE . 51.6 t -68.65 -40.31 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 61.0 110.878 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 42' ' ' VAL . 79.3 mt -67.32 -23.81 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 115.86 -0.609 . . . . 61.0 111.419 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -99.37 -7.42 26.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.835 0.309 . . . . 61.0 111.835 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.37 19.31 60.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.421 -0.895 . . . . 61.0 112.564 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.557 HD12 ' HD2' ' A' ' 9' ' ' PRO . 50.2 tp -73.89 -41.7 61.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.563 0.697 . . . . 61.0 109.256 176.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.604 HG22 ' NH1' ' A' ' 22' ' ' ARG . 33.7 pt -134.71 165.49 31.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.851 -1.068 . . . . 61.0 108.483 175.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 54' ' ' GLU . 3.1 t -93.32 154.29 18.07 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 120.517 -0.473 . . . . 61.0 110.085 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 33.3 tt0 -55.45 -43.9 75.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 61.0 110.675 -177.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HD2' HD12 ' A' ' 56' ' ' LEU . 5.7 mmm180 -66.53 -32.38 73.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.784 -0.644 . . . . 61.0 111.301 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 34.6 tt0 -64.93 -42.87 94.31 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.667 -0.494 . . . . 61.0 109.667 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.05 99.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.221 0.534 . . . . 61.0 110.512 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 62.7 mt -69.35 -28.69 66.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.531 -0.759 . . . . 61.0 111.322 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -94.71 -24.53 17.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.879 0.696 . . . . 61.0 112.879 -175.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm180 -84.43 -18.18 36.81 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.2 -0.6 . . . . 61.0 110.868 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.422 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 71.9 m-85 -117.37 0.88 12.31 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.049 -0.26 . . . . 61.0 111.314 178.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.3 m 59.15 38.36 23.71 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.275 0.56 . . . . 61.0 111.314 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.54 HD22 ' HG2' ' A' ' 65' ' ' GLU . 93.3 mt -91.93 167.2 12.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.82 -0.627 . . . . 61.0 111.171 -176.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -105.56 163.5 12.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.685 -0.689 . . . . 61.0 109.948 175.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.49 -38.29 89.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 120.677 0.275 . . . . 61.0 110.668 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.49 -28.53 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.438 -0.346 . . . . 61.0 111.096 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.54 ' HG2' HD22 ' A' ' 61' ' ' LEU . 7.6 tp10 -67.27 -56.87 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.01 -0.737 . . . . 61.0 109.01 176.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.64 -32.42 70.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.079 -0.964 . . . . 61.0 110.621 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' A' ' 70' ' ' ARG . . . -61.43 -41.15 96.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 61.0 110.927 177.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.72 -42.58 86.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.274 -0.421 . . . . 61.0 110.168 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -58.81 -54.25 49.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.799 -0.637 . . . . 61.0 111.069 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.576 ' HA ' HG21 ' A' ' 42' ' ' VAL . 11.2 ptm180 -64.61 -26.92 68.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.438 -0.346 . . . . 61.0 111.117 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 t -72.91 -43.63 62.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 61.0 110.232 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.629 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -78.66 -39.36 37.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.17 -0.468 . . . . 61.0 111.879 -175.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.4 t -79.18 -43.58 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.053 0.39 . . . . 61.0 112.053 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.23 -42.18 32.03 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.889 -0.324 . . . . 61.0 111.491 -175.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 92' ' ' LEU . . . -84.21 16.33 3.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.846 0.355 . . . . 61.0 111.304 -176.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.629 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 40.9 t-80 -102.01 6.2 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.131 0.491 . . . . 61.0 109.769 177.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.03 78.05 0.78 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.692 -0.766 . . . . 61.0 111.345 176.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' OE2' ' HG3' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -96.49 -14.46 22.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.11 0.481 . . . . 61.0 110.981 -175.677 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.454 ' HG3' ' OE2' ' A' ' 78' ' ' GLU . 55.8 mttp -78.57 -50.47 11.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.928 -0.578 . . . . 61.0 111.89 -172.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -130.57 125.31 33.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.839 0.352 . . . . 61.0 111.248 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.7 mp -125.04 89.36 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.893 -0.594 . . . . 61.0 110.196 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.534 ' O ' HD12 ' A' ' 86' ' ' ILE . 86.2 tttt -71.02 154.22 41.98 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.597 -0.89 . . . . 61.0 108.597 173.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -54.41 -29.46 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-O 121.264 0.554 . . . . 61.0 111.333 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.0 m -76.11 -23.46 54.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.262 0.553 . . . . 61.0 111.139 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 58.7 mtt -76.78 -32.09 57.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.705 -0.68 . . . . 61.0 111.27 -175.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 82' ' ' LYS . 4.4 mp -59.13 -38.06 71.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 61.0 110.324 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -51.41 -49.6 61.28 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.416 0.627 . . . . 61.0 110.737 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.651 ' HA ' ' HE3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -64.06 -31.62 72.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.323 -0.853 . . . . 61.0 110.483 -178.8 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -82.16 -18.6 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 61.0 111.223 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 86' ' ' ILE . 21.7 mtm180 -83.38 -23.34 32.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.756 0.313 . . . . 61.0 110.47 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -100.1 14.49 30.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.438 0.637 . . . . 61.0 109.843 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.424 HD11 ' HB2' ' A' ' 75' ' ' ALA . 5.8 tt -60.03 -47.69 84.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.856 -1.066 . . . . 61.0 111.097 -178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -107.63 -49.87 3.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.835 0.35 . . . . 61.0 110.271 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -146.57 -91.13 0.09 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.217 -0.447 . . . . 61.0 110.337 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.2 m80 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 117.862 -1.066 . . . . 61.0 109.348 -175.573 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.693 ' HG2' ' H ' ' A' ' 2' ' ' TYR . 12.7 ttt . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 108.997 -0.742 . . . . 61.0 108.997 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.693 ' H ' ' HG2' ' A' ' 1' ' ' MET . 61.0 m-85 -76.69 -66.33 0.83 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.741 0.305 . . . . 61.0 111.096 -176.12 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.64 -41.49 23.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.585 0.707 . . . . 61.0 109.275 177.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -86.52 77.62 9.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.227 -0.897 . . . . 61.0 109.48 176.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -123.19 143.9 49.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.243 -0.435 . . . . 61.0 110.258 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -70.68 129.23 34.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.639 -0.504 . . . . 61.0 109.639 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -69.91 108.22 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.206 0.527 . . . . 61.0 111.055 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.68 149.58 21.06 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.424 -0.807 . . . . 61.0 111.231 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.47 160.01 50.95 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.86 2.373 . . . . 61.0 112.153 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -81.6 -23.88 36.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.834 -0.621 . . . . 61.0 110.05 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.587 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.9 pt20 -154.49 143.0 20.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.74 -0.664 . . . . 61.0 110.846 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.0 m -122.65 161.51 23.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.958 -0.564 . . . . 61.0 110.345 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 m -96.37 141.57 29.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.897 0.38 . . . . 61.0 110.955 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -91.87 142.8 26.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 109.53 -0.544 . . . . 61.0 109.53 174.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.452 ' HD3' ' CE1' ' A' ' 47' ' ' HIS . 23.4 Cg_exo -63.82 -8.96 17.05 Favored 'Trans proline' 0 CA--C 1.527 0.146 0 C-N-CA 122.663 2.242 . . . . 61.0 110.94 172.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -85.24 -2.44 58.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.105 -0.952 . . . . 61.0 110.036 177.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.16 59.21 3.44 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.526 -0.629 . . . . 61.0 111.526 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.401 ' HB ' HD23 ' A' ' 14' ' ' LEU . 8.6 m -150.51 166.47 30.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.58 -0.526 . . . . 61.0 109.58 -177.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -111.56 130.47 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.686 0.279 . . . . 61.0 110.67 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.74 ' HB2' HD21 ' A' ' 14' ' ' LEU . 61.1 tp -119.06 99.22 6.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.587 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 87.0 p -89.36 172.23 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.284 -0.636 . . . . 61.0 109.284 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -70.12 -13.49 62.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.289 0.566 . . . . 61.0 110.055 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.07 -7.06 52.82 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.921 -0.581 . . . . 61.0 110.859 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.467 ' HB2' HD12 ' A' ' 20' ' ' LEU . 10.8 m-20 -87.88 -4.69 58.83 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.183 -0.462 . . . . 61.0 110.429 177.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.448 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 85.3 mt -68.92 148.14 97.89 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.736 -0.666 . . . . 61.0 110.306 175.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.77 150.16 88.57 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.56 2.173 . . . . 61.0 111.697 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.67 166.1 27.18 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.755 2.303 . . . . 61.0 112.945 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.32 -13.81 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.903 -0.589 . . . . 61.0 111.084 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -80.91 0.29 35.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.527 . . . . 61.0 110.449 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 37' ' ' ARG . 99.8 m -83.65 120.04 25.49 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.609 0.719 . . . . 61.0 111.795 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -128.73 -31.16 2.23 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.872 -1.058 . . . . 61.0 108.698 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -78.19 79.74 4.63 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 107.917 -1.142 . . . . 61.0 107.917 171.448 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -75.46 110.72 10.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.359 -0.837 . . . . 61.0 112.042 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.3 m -89.94 170.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.636 -0.711 . . . . 61.0 109.925 172.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.27 -44.69 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.864 0.32 . . . . 61.0 111.864 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 p -60.93 -41.35 96.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.999 0.428 . . . . 61.0 111.447 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.591 ' HD3' HG21 ' A' ' 30' ' ' THR . 76.4 mtt180 -71.03 -38.41 72.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 61.0 111.286 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.28 -42.27 93.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.883 0.373 . . . . 61.0 110.474 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.38 98.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.837 -0.619 . . . . 61.0 111.333 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.29 92.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.714 0.293 . . . . 61.0 110.994 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.99 -52.79 49.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.354 -0.385 . . . . 61.0 111.128 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.577 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -66.49 -40.16 85.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.322 -0.399 . . . . 61.0 111.32 -175.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.496 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.2 mttt -65.19 -31.58 72.84 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 120.616 0.246 . . . . 61.0 110.735 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.76 -45.05 95.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.276 -0.42 . . . . 61.0 110.379 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.68 -46.13 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.276 -0.42 . . . . 61.0 110.763 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 42' ' ' VAL . 74.5 mt -62.03 -30.14 48.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 116.025 -0.534 . . . . 61.0 111.7 -177.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.452 ' CE1' ' HD3' ' A' ' 15' ' ' PRO . 74.9 m-70 -92.96 -13.41 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.936 -0.306 . . . . 61.0 111.572 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.67 9.12 58.99 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.479 -0.867 . . . . 61.0 113.395 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.524 HD22 ' HG ' ' A' ' 20' ' ' LEU . 50.0 tp -62.77 -42.24 99.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.593 0.711 . . . . 61.0 109.715 178.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.708 ' HB ' ' HG2' ' A' ' 54' ' ' GLU . 46.4 pt -133.82 177.24 7.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.021 -0.991 . . . . 61.0 108.862 175.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.627 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 3.5 t -106.09 158.0 17.13 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.893 -0.41 . . . . 61.0 109.893 175.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.571 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 30.6 tt0 -57.53 -40.79 79.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.153 0.501 . . . . 61.0 110.281 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.576 HH11 ' HB2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -66.29 -27.43 67.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 61.0 109.95 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.708 ' HG2' ' HB ' ' A' ' 50' ' ' ILE . 3.5 tp10 -66.4 -51.55 55.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.581 -0.736 . . . . 61.0 109.717 177.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.51 81.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.712 -0.677 . . . . 61.0 111.109 -176.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 77.7 mt -60.58 -35.47 76.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 61.0 111.335 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.576 ' HB2' HH11 ' A' ' 53' ' ' ARG . 30.7 t70 -79.97 -48.6 13.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.898 0.38 . . . . 61.0 111.534 -175.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -70.64 -35.51 72.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 61.0 111.799 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.448 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 45.4 m-85 -97.37 -4.55 38.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.069 -0.252 . . . . 61.0 111.022 -177.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.3 t 60.96 73.55 0.48 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.479 0.657 . . . . 61.0 109.851 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 88.8 mt -131.82 156.64 45.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.431 -0.804 . . . . 61.0 110.414 -178.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 m -102.74 159.27 15.62 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.101 -0.5 . . . . 61.0 109.663 176.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -60.45 -38.5 84.36 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.717 -0.219 . . . . 61.0 110.713 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.04 -36.74 80.35 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.942 0.401 . . . . 61.0 110.684 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.434 ' HG2' HD22 ' A' ' 61' ' ' LEU . 15.1 tp10 -66.24 -53.77 33.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.318 -0.623 . . . . 61.0 109.318 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.473 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 54.7 t80 -60.28 -34.11 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.548 -0.751 . . . . 61.0 110.548 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.49 91.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.234 -0.439 . . . . 61.0 110.708 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.54 -44.31 97.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 61.0 110.11 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -58.9 -55.41 35.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.91 -0.586 . . . . 61.0 111.175 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HA ' HG21 ' A' ' 42' ' ' VAL . 1.3 ptm180 -66.29 -33.08 74.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 61.0 111.465 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.1 t -71.3 -36.2 71.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.948 0.404 . . . . 61.0 110.272 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.24 -53.66 18.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 61.0 110.921 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.552 HG21 HG11 ' A' ' 42' ' ' VAL . 85.2 t -64.7 -41.13 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.865 -0.607 . . . . 61.0 111.562 -176.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HA ' ' HD2' ' A' ' 88' ' ' LYS . . . -63.29 -48.1 79.5 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.786 0.327 . . . . 61.0 111.302 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.722 ' HA ' ' HB3' ' A' ' 78' ' ' GLU . . . -76.51 -13.34 60.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 61.0 111.43 -177.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -70.36 101.28 1.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.745 -0.835 . . . . 61.0 108.745 174.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.92 50.02 8.21 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.889 -0.885 . . . . 61.0 110.889 -171.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.722 ' HB3' ' HA ' ' A' ' 75' ' ' ALA . 8.8 pt-20 -84.29 -14.31 50.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.661 0.267 . . . . 61.0 111.216 -176.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -84.26 -16.0 44.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.024 0.44 . . . . 61.0 110.524 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.78 82.21 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.938 -0.574 . . . . 61.0 110.4 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.65 76.21 10.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.217 0.532 . . . . 61.0 110.506 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -71.36 156.82 39.05 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.863 -0.792 . . . . 61.0 108.863 173.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.56 -12.68 7.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.071 0.462 . . . . 61.0 111.578 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.0 m -112.72 16.83 19.49 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.391 0.615 . . . . 61.0 110.526 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.534 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 15.5 mmt -113.92 -4.33 13.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 61.0 111.908 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.584 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 5.2 mp -71.8 -27.65 28.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.864 -0.421 . . . . 61.0 109.864 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -56.34 -39.71 73.29 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.007 -0.542 . . . . 61.0 111.588 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.58 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 54.7 pttt -71.71 -11.12 60.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.996 0.427 . . . . 61.0 110.485 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.539 ' CZ ' ' HE3' ' A' ' 88' ' ' LYS . 19.5 m-85 -99.78 -9.26 23.18 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.677 -0.49 . . . . 61.0 109.677 174.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 86' ' ' ILE . 30.2 mmm180 -84.19 -33.6 24.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 61.0 109.871 178.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -70.63 -10.15 58.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.432 0.634 . . . . 61.0 110.056 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.35 -33.44 72.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.42 -0.809 . . . . 61.0 110.739 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -99.51 26.64 5.92 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.046 0.45 . . . . 61.0 109.98 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 75.84 -76.3 0.06 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.017 -0.992 . . . . 61.0 111.579 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.605 -0.712 . . . . 61.0 109.789 -176.21 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 mmt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.185 -0.302 . . . . 61.0 110.185 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -90.62 -82.82 0.27 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.614 -0.266 . . . . 61.0 110.73 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.6 mp 64.53 -85.08 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.971 -0.559 . . . . 61.0 111.328 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -127.7 3.11 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.556 0.694 . . . . 61.0 110.079 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -132.24 129.15 39.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.603 -0.726 . . . . 61.0 110.242 -175.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.21 75.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.036 -0.728 . . . . 61.0 109.036 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -88.22 -24.49 23.26 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.148 -0.933 . . . . 61.0 111.021 -175.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.24 -177.15 23.91 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.636 -0.792 . . . . 61.0 111.953 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.67 160.93 27.97 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.989 2.459 . . . . 61.0 112.117 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -76.13 -22.69 55.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.306 0.574 . . . . 61.0 109.912 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.576 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.2 pt20 -149.06 138.09 21.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.271 -0.877 . . . . 61.0 110.582 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.442 HG21 ' HB2' ' A' ' 47' ' ' HIS . 19.5 m -118.56 149.57 20.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.841 -0.618 . . . . 61.0 110.364 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 14' ' ' LEU . 26.2 m -85.99 136.21 33.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.296 -0.411 . . . . 61.0 111.111 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -79.14 160.15 71.52 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 108.849 -0.797 . . . . 61.0 108.849 172.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -60.08 -20.35 60.63 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.31 2.007 . . . . 61.0 111.864 178.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -77.67 -22.52 50.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.234 -0.894 . . . . 61.0 111.179 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.16 -2.11 37.85 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.803 -0.713 . . . . 61.0 111.329 -174.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.426 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.13 166.69 23.26 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 122.291 0.236 . . . . 61.0 110.944 178.625 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.68 131.52 57.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.105 0.479 . . . . 61.0 111.134 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.667 ' HB2' HD21 ' A' ' 14' ' ' LEU . 67.7 tp -119.88 99.12 6.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.612 -0.722 . . . . 61.0 109.517 175.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.576 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.0 p -95.51 173.81 7.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.369 -0.378 . . . . 61.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.482 ' HG3' HD11 ' A' ' 49' ' ' LEU . 79.8 mtt180 -73.25 -12.09 60.74 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.332 -0.395 . . . . 61.0 110.757 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.15 -8.68 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 61.0 110.243 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -86.03 -17.32 35.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 61.0 110.315 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -57.9 137.2 83.52 Favored Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 116.032 -0.531 . . . . 61.0 110.909 176.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.41 155.05 64.56 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.006 2.471 . . . . 61.0 112.128 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 59.3 Cg_endo -69.66 156.78 62.71 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.717 2.278 . . . . 61.0 112.609 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.4 mt -74.26 -14.52 60.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.329 0.585 . . . . 61.0 109.92 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.8 -4.26 36.63 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.181 -0.918 . . . . 61.0 110.484 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.406 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 89.8 m -77.2 111.3 12.67 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.858 -0.61 . . . . 61.0 111.539 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -106.64 -38.62 6.08 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.502 -0.925 . . . . 61.0 108.502 170.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -75.14 84.93 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.405 -0.816 . . . . 61.0 109.594 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -75.07 108.4 7.78 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.497 -0.774 . . . . 61.0 112.074 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.29 161.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.307 -0.861 . . . . 61.0 109.739 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.8 70.79 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.308 0.38 . . . . 61.0 111.938 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -55.19 -47.1 75.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.199 0.523 . . . . 61.0 110.871 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 41' ' ' VAL . 91.6 mtt180 -76.97 -34.18 57.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.717 -0.674 . . . . 61.0 110.678 -176.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.28 -46.53 83.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 61.0 110.765 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.22 -44.81 92.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.699 -0.682 . . . . 61.0 111.281 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.03 86.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.408 -0.36 . . . . 61.0 111.274 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 37' ' ' ARG . 90.2 t -66.14 -52.15 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.401 . . . . 61.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.2 p -68.13 -38.95 80.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.201 -0.454 . . . . 61.0 111.384 -175.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.22 -29.25 70.03 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.75 0.309 . . . . 61.0 110.35 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.65 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.875 -0.602 . . . . 61.0 110.439 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.89 -43.0 96.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.18 0.514 . . . . 61.0 110.477 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.85 -48.58 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.541 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.442 ' HB2' HG21 ' A' ' 12' ' ' VAL . 53.0 m-70 -77.34 -3.89 42.34 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.989 0.366 . . . . 61.0 111.989 -176.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.21 23.69 53.98 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.387 -0.911 . . . . 61.0 112.72 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD11 ' HG3' ' A' ' 22' ' ' ARG . 52.1 tp -75.9 -46.15 31.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.372 0.606 . . . . 61.0 109.474 177.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 35.0 pt -132.9 172.73 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.959 -1.019 . . . . 61.0 109.218 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 54' ' ' GLU . 5.0 t -98.49 157.31 16.3 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.922 0.391 . . . . 61.0 110.61 177.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 37.4 tt0 -58.66 -46.11 87.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.99 -0.55 . . . . 61.0 110.675 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -31.94 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.746 -0.661 . . . . 61.0 111.013 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.518 ' H ' HG23 ' A' ' 51' ' ' THR . 12.2 tp10 -59.52 -48.24 82.4 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.499 -0.556 . . . . 61.0 109.499 176.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.99 76.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.594 -0.73 . . . . 61.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 75.0 mt -58.22 -44.45 88.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.119 -0.491 . . . . 61.0 111.111 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.33 -54.57 16.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.371 . . . . 61.0 111.84 -178.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 12.3 ptp180 -73.08 -21.65 60.73 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.147 0.425 . . . . 61.0 112.147 -171.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.45 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 47.6 m-85 -110.21 4.08 20.65 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.589 -0.444 . . . . 61.0 111.86 -177.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 t 61.65 37.46 15.99 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.311 0.577 . . . . 61.0 110.437 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 71.2 mt -96.58 144.85 26.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.862 -0.608 . . . . 61.0 110.414 -177.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.3 m -99.86 165.39 11.58 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.979 -0.555 . . . . 61.0 109.803 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -54.23 -49.57 69.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 61.0 111.23 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.0 -25.97 67.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 61.0 111.272 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.39 -56.23 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.505 -0.554 . . . . 61.0 109.505 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -62.39 -30.8 71.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.748 -0.66 . . . . 61.0 110.504 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.42 90.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.092 -0.504 . . . . 61.0 110.439 175.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -47.16 78.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 61.0 110.41 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 17.4 m0 -54.8 -54.19 45.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.768 -0.651 . . . . 61.0 111.554 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.556 ' HA ' HG21 ' A' ' 42' ' ' VAL . 13.6 ptm180 -67.99 -25.81 65.6 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.968 -0.293 . . . . 61.0 111.397 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 60.4 m -73.81 -38.08 64.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 61.0 110.585 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.99 -19.16 57.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 61.0 111.593 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.1 t -100.76 -52.97 8.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.788 0.292 . . . . 61.0 111.788 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.57 -41.69 54.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.772 0.32 . . . . 61.0 111.201 -175.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 71' ' ' SER . . . -90.73 17.55 7.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.988 0.423 . . . . 61.0 110.607 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -71.01 -27.48 63.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.829 -0.623 . . . . 61.0 109.928 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.34 80.76 0.32 Allowed Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.769 -0.932 . . . . 61.0 110.769 175.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -102.09 -25.57 13.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.892 0.377 . . . . 61.0 111.076 -174.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -71.22 -42.06 69.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.04 -0.527 . . . . 61.0 111.559 -172.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.49 124.27 44.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.419 -0.355 . . . . 61.0 110.88 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.7 mp -82.96 63.37 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.323 0.583 . . . . 61.0 110.242 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.591 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 83.0 tttt -64.07 149.74 46.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.189 -0.914 . . . . 61.0 109.046 174.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.427 ' HA ' HD13 ' A' ' 86' ' ' ILE . 9.4 p -52.22 -30.24 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 121.173 0.511 . . . . 61.0 111.868 -175.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.429 ' H ' ' HG2' ' A' ' 82' ' ' LYS . 3.4 m -80.1 -12.46 59.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.885 -0.598 . . . . 61.0 111.297 -178.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.591 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -88.03 -26.65 22.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 61.0 111.097 -178.294 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 83' ' ' VAL . 4.0 mp -66.16 -37.92 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.596 -0.52 . . . . 61.0 109.596 177.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -51.62 -44.19 62.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.501 -0.772 . . . . 61.0 110.156 170.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -65.38 -46.5 79.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.121 -0.945 . . . . 61.0 110.399 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -63.56 -40.74 97.76 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.482 -0.327 . . . . 61.0 110.934 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -65.25 -35.43 81.02 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.309 -0.405 . . . . 61.0 111.601 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -100.55 12.95 36.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.454 0.645 . . . . 61.0 110.57 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 tp -92.43 -49.87 5.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.403 -0.817 . . . . 61.0 109.59 173.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -64.92 110.62 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.919 -1.037 . . . . 61.0 111.378 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -72.32 167.07 21.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.798 -0.637 . . . . 61.0 110.062 175.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.051 -0.976 . . . . 61.0 109.262 174.081 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttt . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.877 0.37 . . . . 61.0 110.691 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -155.34 151.91 28.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 61.0 109.518 -176.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 tt -58.75 -66.27 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.408 0.442 . . . . 61.0 110.781 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -89.75 107.24 18.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.293 0.568 . . . . 61.0 110.968 -176.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -139.33 123.59 18.06 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.826 -0.805 . . . . 61.0 108.826 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.0 t -68.46 104.74 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.212 0.529 . . . . 61.0 110.496 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -92.43 108.56 20.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.538 -0.756 . . . . 61.0 109.816 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.96 161.86 17.66 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.053 -0.594 . . . . 61.0 112.374 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 49' ' ' LEU . 3.3 Cg_exo -76.08 178.73 7.1 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.976 2.451 . . . . 61.0 111.935 177.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -78.17 -24.66 47.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.5 -0.318 . . . . 61.0 111.822 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.4 pt20 -150.7 148.07 28.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.07 -0.252 . . . . 61.0 111.135 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 m -129.81 158.56 42.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.515 . . . . 61.0 110.06 174.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -102.03 138.31 39.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.392 -0.367 . . . . 61.0 110.588 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -85.61 151.7 56.09 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.699 -0.482 . . . . 61.0 109.699 176.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.11 -16.78 49.9 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.51 2.14 . . . . 61.0 110.809 174.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.78 -22.02 50.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.812 -1.086 . . . . 61.0 110.942 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.78 -1.15 34.0 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.59 -0.814 . . . . 61.0 111.79 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.64 164.86 20.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.612 0.244 . . . . 61.0 111.111 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.2 t -115.2 130.25 70.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 110.216 -0.291 . . . . 61.0 110.216 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 59.8 tp -122.83 104.12 9.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.329 -0.396 . . . . 61.0 110.239 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 92.0 p -98.79 171.34 8.15 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.85 -0.426 . . . . 61.0 109.85 177.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' NH1' HG22 ' A' ' 50' ' ' ILE . 72.8 mtp85 -69.84 -4.82 21.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.049 0.452 . . . . 61.0 110.716 178.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.55 -2.35 28.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 61.0 110.596 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' HB2' HD12 ' A' ' 20' ' ' LEU . 7.1 m-20 -89.94 -12.1 39.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.482 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.2 mt -57.74 131.31 82.51 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.778 -0.647 . . . . 61.0 110.596 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.58 161.93 7.05 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.785 2.99 . . . . 61.0 112.824 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.486 ' HG2' ' HB ' ' A' ' 30' ' ' THR . 11.1 Cg_endo -54.09 134.05 58.22 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.048 2.499 . . . . 61.0 112.296 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' A' ' 58' ' ' ARG . 53.5 mt -61.25 -34.03 74.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.589 . . . . 61.0 111.427 -176.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.696 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 1.1 m-20 -101.06 32.19 3.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.469 -0.332 . . . . 61.0 111.452 -176.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.486 ' HB ' ' HG2' ' A' ' 27' ' ' PRO . 10.0 t -67.41 -44.45 78.77 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.17 -0.212 . . . . 61.0 111.466 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.696 ' NH1' ' HA ' ' A' ' 29' ' ' ASP . 9.4 mpt_? 65.75 -69.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.296 0.638 . . . . 61.0 112.113 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -77.72 82.14 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.478 0.656 . . . . 61.0 109.964 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -65.76 129.71 40.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.741 -1.118 . . . . 61.0 112.769 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.2 m -103.77 164.28 3.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.599 . . . . 61.0 109.533 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.57 -41.53 73.46 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.503 0.557 . . . . 61.0 112.503 -173.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 m -64.17 -44.8 90.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.363 -0.381 . . . . 61.0 111.606 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -70.72 -35.62 72.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.608 -0.269 . . . . 61.0 110.52 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.12 -44.56 97.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.999 0.428 . . . . 61.0 110.399 174.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.05 88.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.417 -0.81 . . . . 61.0 111.141 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.69 -44.22 85.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.47 -0.332 . . . . 61.0 111.315 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.4 t -67.11 -48.86 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.414 -0.357 . . . . 61.0 111.392 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.4 p -66.45 -37.13 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.718 -0.393 . . . . 61.0 110.945 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.39 -34.14 77.49 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 110.242 -0.281 . . . . 61.0 110.242 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.41 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -61.67 -46.42 89.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 61.0 110.691 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.516 HG22 HG13 ' A' ' 50' ' ' ILE . 58.2 t -74.24 -34.36 37.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.569 -0.287 . . . . 61.0 111.259 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.59 -42.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.496 0.189 . . . . 61.0 111.2 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -80.06 -11.61 59.75 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.962 -0.295 . . . . 61.0 111.036 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.68 21.17 34.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 61.0 113.027 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 50.5 tp -71.95 -42.15 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.543 . . . . 61.0 110.141 178.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.516 HG13 HG22 ' A' ' 45' ' ' VAL . 43.4 pt -138.29 166.61 23.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.33 -0.85 . . . . 61.0 109.925 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.548 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 1.8 t -91.07 159.16 16.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.129 0.49 . . . . 61.0 110.222 174.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.55 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 23.9 tt0 -58.87 -43.76 90.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.78 -0.645 . . . . 61.0 110.175 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -29.41 69.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 61.0 110.764 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.548 ' HB3' ' O ' ' A' ' 51' ' ' THR . 7.6 tp10 -58.73 -47.84 83.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.328 -0.619 . . . . 61.0 109.328 175.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.95 -48.77 62.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.42 -0.809 . . . . 61.0 111.173 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 85.3 mt -57.4 -40.11 77.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.063 -0.517 . . . . 61.0 111.701 -177.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -55.22 13.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.719 0.266 . . . . 61.0 111.719 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.532 ' HB2' HD22 ' A' ' 28' ' ' LEU . 12.6 ptp180 -66.34 -29.12 69.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.209 0.448 . . . . 61.0 112.209 -173.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -101.63 -1.08 33.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.908 -0.317 . . . . 61.0 111.6 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 t 58.1 39.65 25.93 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.313 0.577 . . . . 61.0 110.439 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.559 HD22 ' HG2' ' A' ' 65' ' ' GLU . 97.6 mt -94.15 168.63 10.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 61.0 111.225 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 m -112.6 159.19 19.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.313 -0.858 . . . . 61.0 109.608 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -57.15 -41.59 79.42 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.08 -0.509 . . . . 61.0 111.365 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.594 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.7 pt-20 -57.06 -38.27 73.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.19 -0.459 . . . . 61.0 111.586 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.559 ' HG2' HD22 ' A' ' 61' ' ' LEU . 14.4 tp10 -65.22 -54.65 26.26 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.544 -0.539 . . . . 61.0 109.544 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -60.95 -38.36 85.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.767 -0.652 . . . . 61.0 110.79 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.485 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . . . -56.9 -38.23 72.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 61.0 110.988 176.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 97.4 mt -67.94 -44.56 76.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.322 -0.399 . . . . 61.0 110.285 179.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.6 m0 -54.53 -51.17 65.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.799 -0.637 . . . . 61.0 110.623 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.485 ' NE ' ' HA ' ' A' ' 67' ' ' ALA . 8.8 ptt180 -68.5 -31.05 70.05 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.017 -0.273 . . . . 61.0 111.499 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.0 m -65.46 -32.33 73.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.939 0.4 . . . . 61.0 110.625 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -87.3 -47.88 8.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.289 -0.414 . . . . 61.0 112.006 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.0 t -77.14 -46.14 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.378 0.51 . . . . 61.0 112.378 -173.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.79 -44.77 69.41 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.74 -0.384 . . . . 61.0 110.902 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.74 11.08 7.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 61.0 111.193 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 37.9 t-80 -72.69 102.87 3.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.085 -0.507 . . . . 61.0 109.64 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.55 39.91 28.79 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.861 -0.685 . . . . 61.0 112.087 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.458 ' HA ' ' OH ' ' A' ' 89' ' ' TYR . 10.4 pt-20 -67.61 -17.69 64.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.914 0.388 . . . . 61.0 111.137 -177.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -79.03 -10.84 59.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 61.0 111.634 -177.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 85' ' ' MET . . . -108.39 95.81 5.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.761 0.315 . . . . 61.0 110.821 -178.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 mp -98.11 87.78 4.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.993 0.425 . . . . 61.0 111.287 -177.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.499 ' O ' HD12 ' A' ' 86' ' ' ILE . 21.0 tptm -87.8 161.44 17.56 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.308 -0.997 . . . . 61.0 108.308 171.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -46.92 -40.4 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 112.74 0.644 . . . . 61.0 112.74 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.3 m -81.39 -17.26 49.59 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.22 0.533 . . . . 61.0 111.407 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.554 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 42.9 tpp -72.7 -24.78 61.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.243 -0.435 . . . . 61.0 110.846 -175.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 82' ' ' LYS . 4.1 mp -62.36 -23.88 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.412 . . . . 61.0 110.785 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -57.96 -42.86 85.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 61.0 111.227 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 85' ' ' MET . 18.6 ptpt -71.13 -13.16 61.86 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.937 -0.305 . . . . 61.0 110.933 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.458 ' OH ' ' HA ' ' A' ' 78' ' ' GLU . 26.0 m-85 -97.59 -37.91 9.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.494 -0.321 . . . . 61.0 111.058 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 3.7 mmp_? -88.22 -29.2 20.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.468 -0.333 . . . . 61.0 111.89 -175.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -85.12 -10.92 56.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.621 0.724 . . . . 61.0 109.342 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.79 119.37 16.94 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.867 -1.06 . . . . 61.0 110.514 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -99.04 128.29 45.15 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.791 -0.641 . . . . 61.0 109.32 171.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -77.85 138.46 38.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.959 -0.564 . . . . 61.0 111.832 -169.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 65.2 t60 . . . . . 0 C--O 1.246 0.877 0 CA-C-N 115.506 -0.77 . . . . 61.0 109.207 173.406 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.444 0.164 . . . . 61.0 111.383 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -95.27 115.41 27.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.925 0.393 . . . . 61.0 110.539 -176.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.2 mm? -82.73 58.53 4.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.525 0.679 . . . . 61.0 111.133 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -84.19 -31.68 24.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.447 -0.797 . . . . 61.0 109.043 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -85.37 94.12 8.89 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.165 0.984 . . . . 61.0 110.585 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.73 87.57 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 CA-C-N 113.52 -1.673 . . . . 61.0 109.928 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -97.19 -176.55 3.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.705 -0.68 . . . . 61.0 110.109 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 146.66 -113.76 0.68 Allowed Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.328 -0.709 . . . . 61.0 111.328 -176.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.39 94.34 0.76 Allowed 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.223 1.949 . . . . 61.0 111.773 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.26 -22.97 35.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.39 -0.368 . . . . 61.0 110.683 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 8.7 pt20 -141.63 142.6 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 61.0 110.825 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.45 148.85 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.968 -0.56 . . . . 61.0 110.112 174.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.0 m -89.56 130.34 35.89 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.175 0.512 . . . . 61.0 110.886 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -78.84 143.93 63.23 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.706 -0.849 . . . . 61.0 108.706 172.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD3' ' NE2' ' A' ' 47' ' ' HIS . 55.5 Cg_endo -73.57 -4.82 16.07 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.12 1.88 . . . . 61.0 109.284 173.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.59 -10.07 59.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 113.806 -1.543 . . . . 61.0 108.854 173.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.78 47.99 5.39 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.665 -0.698 . . . . 61.0 111.873 -177.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -143.04 166.33 24.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.922 -0.399 . . . . 61.0 109.922 -175.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.1 t -111.57 127.81 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.683 0.278 . . . . 61.0 110.683 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.668 ' HB2' HD21 ' A' ' 14' ' ' LEU . 57.1 tp -116.73 108.47 15.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.766 -0.457 . . . . 61.0 109.766 177.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 23.0 p -99.56 163.26 12.58 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.92 -0.582 . . . . 61.0 110.614 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.423 ' HG3' HD11 ' A' ' 49' ' ' LEU . 91.9 mtt180 -65.21 -27.12 68.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.352 -0.385 . . . . 61.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.64 -8.1 59.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.195 -0.457 . . . . 61.0 110.893 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.0 -9.03 41.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.11 0.481 . . . . 61.0 110.361 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.47 153.19 61.82 Favored Pre-proline 0 C--O 1.236 0.374 0 CA-C-N 115.708 -0.678 . . . . 61.0 110.891 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.1 148.21 74.83 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.536 2.157 . . . . 61.0 111.814 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.24 158.59 51.49 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.879 2.386 . . . . 61.0 112.717 -176.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.11 -10.38 59.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.259 0.552 . . . . 61.0 110.756 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.17 -3.57 46.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.607 0.718 . . . . 61.0 110.149 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.8 m -86.66 92.43 8.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.801 -0.636 . . . . 61.0 112.223 -176.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -99.48 -24.05 14.9 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.541 -1.281 . . . . 61.0 107.541 161.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HG2' ' H ' ' A' ' 32' ' ' ARG . 14.7 ptt180 -72.19 70.86 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 113.867 -1.515 . . . . 61.0 109.731 168.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.95 109.01 9.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.258 -0.883 . . . . 61.0 111.893 -175.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.3 m -88.82 163.18 2.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.697 -0.683 . . . . 61.0 109.918 172.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.05 71.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.451 0.537 . . . . 61.0 112.451 -173.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 m -66.71 -36.33 82.23 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.957 0.354 . . . . 61.0 111.957 -176.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' O ' HG23 ' A' ' 41' ' ' VAL . 93.4 mtt180 -69.89 -35.97 75.06 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.067 -0.253 . . . . 61.0 110.472 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -65.17 -42.68 93.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.99 0.424 . . . . 61.0 110.106 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.65 -39.2 93.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 61.0 111.265 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.44 98.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.75 0.309 . . . . 61.0 111.061 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 37' ' ' ARG . 90.1 t -67.4 -46.73 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 61.0 111.388 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.541 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.9 p -65.51 -39.06 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.899 -0.32 . . . . 61.0 111.085 -177.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.534 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.1 mttt -68.83 -32.99 73.08 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 109.941 -0.392 . . . . 61.0 109.941 177.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -60.73 -44.76 96.24 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 61.0 110.922 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.1 t -69.35 -42.48 81.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.251 -0.431 . . . . 61.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.517 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 74.3 mt -71.69 -29.12 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.962 -0.563 . . . . 61.0 111.822 -176.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.427 ' NE2' ' HD3' ' A' ' 15' ' ' PRO . 35.7 m80 -89.36 -5.01 57.84 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.966 -0.459 . . . . 61.0 111.467 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.07 27.35 37.56 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.464 -0.874 . . . . 61.0 112.919 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD22 ' HG ' ' A' ' 20' ' ' LEU . 47.5 tp -80.11 -47.49 14.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.632 0.73 . . . . 61.0 109.296 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.7 pt -130.2 -179.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.728 -1.124 . . . . 61.0 108.575 175.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.564 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 2.8 t -106.32 158.11 17.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.03 0.443 . . . . 61.0 110.845 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.0 tt0 -62.9 -38.55 91.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.788 -0.642 . . . . 61.0 110.41 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -63.82 -37.74 88.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.309 -0.859 . . . . 61.0 109.155 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.564 ' HB3' ' O ' ' A' ' 51' ' ' THR . 6.8 tp10 -59.42 -49.82 76.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.378 -0.828 . . . . 61.0 110.5 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.41 92.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 61.0 111.274 -176.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 21.6 mt -71.04 -31.87 68.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.185 -0.461 . . . . 61.0 110.94 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -80.77 -50.16 10.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.399 -0.364 . . . . 61.0 111.403 -175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 10.1 ptm85 -66.2 -38.25 87.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.504 -0.316 . . . . 61.0 111.823 -175.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.429 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 44.1 m-85 -97.09 -0.89 46.36 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.068 -0.253 . . . . 61.0 111.251 -177.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.1 t 61.17 34.78 18.74 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.112 -0.495 . . . . 61.0 110.574 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 95.8 mt -80.4 -177.74 6.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.726 -0.67 . . . . 61.0 111.414 -176.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -124.53 156.93 36.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.639 -0.709 . . . . 61.0 110.064 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -57.22 -44.85 84.14 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.603 -0.726 . . . . 61.0 110.7 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 7.7 pt-20 -62.26 -36.98 83.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.469 -0.787 . . . . 61.0 111.702 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -66.92 -54.89 17.6 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.824 -0.436 . . . . 61.0 109.824 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -61.93 -31.43 71.74 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.433 -0.349 . . . . 61.0 110.769 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.52 83.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.902 0.382 . . . . 61.0 110.513 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 93.6 mt -68.71 -42.56 77.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 61.0 110.146 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -54.3 -52.55 61.13 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.028 -0.533 . . . . 61.0 110.664 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.541 ' HA ' HG21 ' A' ' 42' ' ' VAL . 6.2 ptm180 -69.67 -24.53 63.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.868 -0.605 . . . . 61.0 111.255 -174.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.503 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 49.3 m -80.99 -29.39 35.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.871 0.367 . . . . 61.0 110.83 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.12 -16.92 44.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.434 -0.348 . . . . 61.0 111.454 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t -116.52 -62.65 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.732 0.301 . . . . 61.0 111.785 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.563 ' O ' ' HD3' ' A' ' 88' ' ' LYS . . . -72.53 -38.56 67.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.785 0.326 . . . . 61.0 111.415 -175.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.546 ' HA ' ' HE1' ' A' ' 89' ' ' TYR . . . -81.74 -8.18 59.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.861 0.362 . . . . 61.0 111.05 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -83.84 78.47 9.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.247 0.546 . . . . 61.0 110.533 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.6 26.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 110.921 -0.871 . . . . 61.0 110.921 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.39 9.36 1.74 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.808 -0.696 . . . . 61.0 112.695 -172.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -92.67 -54.31 3.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.95 0.405 . . . . 61.0 110.352 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -148.07 107.71 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.066 -0.516 . . . . 61.0 110.051 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.86 90.56 1.12 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.433 0.635 . . . . 61.0 111.213 -176.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.561 ' O ' HD12 ' A' ' 86' ' ' ILE . 40.6 ttmt -68.9 153.84 43.08 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.024 -0.989 . . . . 61.0 108.95 171.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.573 ' HA ' HD13 ' A' ' 86' ' ' ILE . 14.6 p -51.83 -33.62 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 112.147 0.425 . . . . 61.0 112.147 -175.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.4 m -73.73 -12.72 60.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.398 0.618 . . . . 61.0 111.376 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.428 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 65.4 mtt -94.61 -23.44 17.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.075 -0.511 . . . . 61.0 111.523 -176.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.573 HD13 ' HA ' ' A' ' 83' ' ' VAL . 4.0 mp -67.64 -36.84 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.908 -0.317 . . . . 61.0 110.757 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -63.47 -28.43 69.96 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 121.071 -0.251 . . . . 61.0 110.553 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HD3' ' O ' ' A' ' 74' ' ' ALA . 95.5 mttt -57.59 -46.84 83.53 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.397 0.618 . . . . 61.0 109.695 174.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.546 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 38.2 m-85 -81.77 -15.56 53.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.221 -0.899 . . . . 61.0 111.489 -175.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -90.77 -16.26 28.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.608 0.242 . . . . 61.0 111.514 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.517 ' OE1' ' HA ' ' A' ' 46' ' ' ILE . 14.2 tt0 -109.87 -4.26 16.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.369 0.604 . . . . 61.0 110.059 178.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 4.9 tt -83.67 109.46 17.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.796 -0.638 . . . . 61.0 109.87 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -111.99 129.25 56.26 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.848 -0.615 . . . . 61.0 109.721 175.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 66.42 108.94 0.04 OUTLIER 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.629 0.728 . . . . 61.0 112.395 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.0 p80 . . . . . 0 C--O 1.245 0.817 0 N-CA-C 109.076 -0.713 . . . . 61.0 109.076 170.005 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.683 0.278 . . . . 61.0 110.566 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -144.53 113.13 6.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.211 -0.45 . . . . 61.0 110.857 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.5 tp -87.15 -39.91 15.09 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.976 -0.75 . . . . 61.0 108.976 172.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -152.91 101.47 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.193 -0.912 . . . . 61.0 109.888 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.452 ' HD3' ' OD2' ' A' ' 7' ' ' ASP . 11.6 ttm180 -78.17 136.41 37.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.925 -0.58 . . . . 61.0 110.866 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 6' ' ' VAL . 6.4 p -134.69 81.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 122.121 0.963 . . . . 61.0 109.824 171.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.452 ' OD2' ' HD3' ' A' ' 5' ' ' ARG . 36.9 p30 -97.3 -8.46 29.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.293 -0.867 . . . . 61.0 110.718 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.8 112.84 4.54 Favored Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 110.968 -0.853 . . . . 61.0 110.968 174.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.53 142.5 84.74 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.758 2.306 . . . . 61.0 111.973 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -86.58 -26.97 24.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.045 0.45 . . . . 61.0 110.108 177.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.1 pt20 -150.75 141.25 22.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.645 -0.707 . . . . 61.0 110.911 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 20' ' ' LEU . 17.4 m -128.35 170.97 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.714 -0.675 . . . . 61.0 109.634 174.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 m -109.61 134.94 51.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.743 0.306 . . . . 61.0 111.164 -176.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.656 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.3 mm? -78.61 154.63 78.7 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.437 -0.579 . . . . 61.0 109.437 174.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.594 ' HB2' HD13 ' A' ' 92' ' ' LEU . 40.5 Cg_endo -67.69 -9.98 27.27 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.406 2.071 . . . . 61.0 112.257 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -88.99 -25.65 21.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.796 -0.638 . . . . 61.0 110.251 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.94 -8.87 9.14 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.787 -0.642 . . . . 61.0 112.093 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.581 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.3 m -73.77 164.18 26.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.638 0.256 . . . . 61.0 111.037 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.0 t -108.69 137.25 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 110.017 -0.364 . . . . 61.0 110.017 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.656 ' HB2' HD21 ' A' ' 14' ' ' LEU . 66.9 tp -122.3 103.5 8.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.034 -0.358 . . . . 61.0 110.034 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.537 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 99.0 p -96.94 168.97 10.15 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.85 -0.426 . . . . 61.0 109.85 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.552 ' NH1' HG22 ' A' ' 50' ' ' ILE . 50.9 mtp85 -72.6 -5.78 39.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.072 0.463 . . . . 61.0 110.387 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.35 -15.37 38.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 61.0 109.877 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -82.2 -22.17 36.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 61.0 110.315 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -58.48 128.73 83.4 Favored Pre-proline 0 C--O 1.233 0.218 0 CA-C-N 115.801 -0.636 . . . . 61.0 110.7 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.67 154.97 56.55 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.096 2.53 . . . . 61.0 112.433 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 31.7 Cg_endo -63.72 164.12 22.4 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.836 2.357 . . . . 61.0 112.929 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.2 mt -83.62 -9.12 59.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.838 -0.619 . . . . 61.0 111.087 -174.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.91 0.46 57.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.124 -0.489 . . . . 61.0 110.969 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 87.6 m -78.82 109.66 13.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.474 -0.33 . . . . 61.0 111.301 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -105.31 -28.78 10.7 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.808 -0.442 . . . . 61.0 109.808 170.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -76.18 76.83 3.0 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.994 -0.743 . . . . 61.0 108.994 172.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -72.47 107.23 4.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.073 -0.967 . . . . 61.0 111.85 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.8 m -89.75 159.96 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.571 -0.74 . . . . 61.0 109.575 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.98 -40.97 70.62 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.349 0.406 . . . . 61.0 111.987 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.0 m -63.98 -35.44 80.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 61.0 111.585 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.8 mtt180 -80.76 -34.97 33.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.607 0.241 . . . . 61.0 110.573 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.86 -43.52 98.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.028 0.442 . . . . 61.0 110.156 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HB1' ' HE3' ' A' ' 43' ' ' LYS . . . -58.66 -49.66 76.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.376 -0.829 . . . . 61.0 111.269 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.54 73.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.685 0.279 . . . . 61.0 111.475 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 37' ' ' ARG . 84.2 t -70.18 -53.41 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 61.0 111.292 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.97 -39.08 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.337 -0.392 . . . . 61.0 111.12 -176.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HE3' ' HB1' ' A' ' 39' ' ' ALA . 98.4 mttt -66.59 -31.05 71.5 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.704 0.287 . . . . 61.0 110.396 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.52 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 61.0 110.3 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 65.2 t -62.97 -45.23 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.934 -0.575 . . . . 61.0 110.46 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.33 -29.84 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 115.632 -0.713 . . . . 61.0 112.026 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.474 ' HE1' ' HB3' ' A' ' 93' ' ' HIS . 87.2 m-70 -98.48 -7.53 28.3 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.916 -0.314 . . . . 61.0 111.77 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.9 10.05 67.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.514 -0.85 . . . . 61.0 112.812 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.3 tp -63.49 -45.5 90.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.689 0.757 . . . . 61.0 108.987 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.552 HG22 ' NH1' ' A' ' 22' ' ' ARG . 29.9 pt -132.79 171.03 18.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.687 -1.142 . . . . 61.0 108.085 172.05 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.496 HG23 ' H ' ' A' ' 54' ' ' GLU . 5.1 t -104.78 157.37 17.25 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.503 -0.479 . . . . 61.0 110.027 176.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.3 tt0 -56.58 -40.18 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.396 0.617 . . . . 61.0 110.245 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -64.67 -32.37 74.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.204 -0.907 . . . . 61.0 109.835 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 60.9 tt0 -73.77 -37.71 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.881 -0.6 . . . . 61.0 110.155 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.77 -46.28 79.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.888 0.375 . . . . 61.0 110.346 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.535 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 52.0 mt -62.49 -34.79 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 61.0 109.893 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.8 -60.44 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.18 -0.918 . . . . 61.0 111.617 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 9.4 ptm180 -69.42 -28.66 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.86 0.689 . . . . 61.0 112.86 -172.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -107.57 5.91 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.57 -0.452 . . . . 61.0 111.972 -176.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.7 m 53.89 51.67 14.37 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.434 0.635 . . . . 61.0 110.473 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.546 HD22 ' HG2' ' A' ' 65' ' ' GLU . 97.5 mt -106.73 150.96 25.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.562 -0.745 . . . . 61.0 111.078 -176.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.467 ' HB2' ' HG2' ' A' ' 64' ' ' GLU . 31.6 m -104.76 162.43 13.31 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.359 -0.837 . . . . 61.0 109.098 172.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.99 -34.67 73.63 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.426 -0.352 . . . . 61.0 110.994 -177.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.467 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 11.1 pt-20 -53.37 -32.56 49.93 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.033 -0.531 . . . . 61.0 111.409 176.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HG2' HD22 ' A' ' 61' ' ' LEU . 20.0 tp10 -82.81 -57.21 3.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.242 0.544 . . . . 61.0 109.829 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.21 -34.35 73.52 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.649 -0.705 . . . . 61.0 111.511 -174.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.89 90.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.539 -0.3 . . . . 61.0 110.701 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.26 -40.96 81.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 61.0 110.25 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.424 ' NE1' ' HG3' ' A' ' 65' ' ' GLU . 25.1 m0 -54.95 -50.7 68.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.099 -0.5 . . . . 61.0 110.817 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 22.5 ptt180 -72.15 -25.07 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.997 -0.281 . . . . 61.0 111.756 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.534 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 39.8 m -75.39 -26.35 58.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.944 0.402 . . . . 61.0 110.435 177.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.32 -48.19 7.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.348 -0.387 . . . . 61.0 111.62 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.8 t -80.56 -51.42 15.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.484 -0.326 . . . . 61.0 111.769 -174.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -78.06 -2.48 37.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.169 0.509 . . . . 61.0 111.36 -175.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 71' ' ' SER . . . -126.02 20.46 7.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.008 -0.542 . . . . 61.0 110.11 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -71.27 110.48 5.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.835 -0.62 . . . . 61.0 109.974 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.25 92.94 0.18 Allowed Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.606 -0.807 . . . . 61.0 112.402 -178.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 78' ' ' GLU . 1.0 OUTLIER -78.23 -16.09 58.16 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.933 -0.765 . . . . 61.0 108.933 173.163 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -88.61 -60.29 2.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.67 -1.15 . . . . 61.0 110.476 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -167.95 159.18 11.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.406 -0.361 . . . . 61.0 110.876 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.1 mp -133.69 66.54 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.291 0.567 . . . . 61.0 109.645 174.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.878 ' HB3' ' HB2' ' A' ' 85' ' ' MET . 80.6 tttt -67.67 141.65 56.62 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.826 -0.805 . . . . 61.0 108.826 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.568 ' HA ' HD12 ' A' ' 86' ' ' ILE . 9.8 p -51.19 -39.79 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.144 0.424 . . . . 61.0 112.144 -172.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.2 m -78.68 -30.18 46.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.556 0.693 . . . . 61.0 110.924 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.878 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . 8.7 ttt -67.63 -35.04 78.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.153 -0.93 . . . . 61.0 110.554 -175.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 83' ' ' VAL . 3.2 mt -61.29 -41.79 91.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.257 -0.428 . . . . 61.0 110.839 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -59.17 -44.41 92.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.171 0.51 . . . . 61.0 110.032 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -90.81 16.69 8.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.927 -0.579 . . . . 61.0 111.258 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -92.88 -54.78 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.626 -0.879 . . . . 61.0 108.626 162.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -69.9 -25.01 63.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.726 -1.124 . . . . 61.0 110.935 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -125.75 24.69 7.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.422 -0.354 . . . . 61.0 110.49 -175.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 15' ' ' PRO . 1.6 tt -54.03 -59.71 4.29 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.95 -0.568 . . . . 61.0 109.924 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.474 ' HB3' ' HE1' ' A' ' 47' ' ' HIS . 8.4 t60 -106.7 84.89 2.07 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.631 -0.878 . . . . 61.0 108.631 174.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -91.98 -20.55 21.25 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.666 -0.697 . . . . 61.0 110.462 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.7 p80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 117.787 -1.101 . . . . 61.0 110.359 178.886 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 110.422 -0.214 . . . . 61.0 110.422 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 66.33 -79.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.768 0.668 . . . . 61.0 109.865 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.2 mp -129.14 -92.62 0.45 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.995 -0.743 . . . . 61.0 108.995 168.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? 65.17 -77.5 0.04 OUTLIER 'General case' 0 C--O 1.231 0.111 0 O-C-N 123.843 0.715 . . . . 61.0 110.03 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 170.61 131.19 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 124.118 0.886 . . . . 61.0 109.245 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -118.25 125.44 74.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.482 -0.562 . . . . 61.0 109.482 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.31 -39.27 74.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 61.0 111.693 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.81 -175.92 14.17 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.598 -0.81 . . . . 61.0 111.851 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.88 167.52 19.41 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.611 2.207 . . . . 61.0 111.808 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -75.75 -27.3 58.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.516 -0.311 . . . . 61.0 111.025 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.602 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.8 pt20 -154.92 146.58 23.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.908 0.385 . . . . 61.0 111.581 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.16 168.68 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.689 -0.687 . . . . 61.0 110.695 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -105.86 139.33 40.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.26 -0.427 . . . . 61.0 110.851 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.656 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.3 mm? -89.29 146.92 37.09 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.14 -0.482 . . . . 61.0 109.941 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.21 -11.36 30.95 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.641 2.227 . . . . 61.0 110.542 172.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.1 -8.49 59.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.941 -1.027 . . . . 61.0 109.914 177.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.3 41.61 7.36 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.837 -0.619 . . . . 61.0 111.994 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -132.02 167.46 19.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.699 -0.482 . . . . 61.0 109.699 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.2 t -113.22 131.6 64.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.191 -0.3 . . . . 61.0 110.191 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.626 ' HB2' HD21 ' A' ' 14' ' ' LEU . 44.0 tp -123.23 103.29 8.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.889 0.376 . . . . 61.0 110.36 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.602 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 3.2 m -91.73 165.47 13.27 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.982 -0.554 . . . . 61.0 109.576 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -64.8 -16.59 63.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.115 0.483 . . . . 61.0 110.614 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.65 -4.64 37.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.823 -0.626 . . . . 61.0 111.282 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -93.24 -0.36 56.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.254 0.549 . . . . 61.0 110.409 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.543 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 77.2 mt -67.7 156.74 88.31 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.467 -0.788 . . . . 61.0 110.561 177.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.75 155.66 36.5 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.784 2.322 . . . . 61.0 111.735 176.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.578 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 18.8 Cg_endo -57.36 147.03 79.94 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.862 2.375 . . . . 61.0 112.508 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 58' ' ' ARG . 94.0 mt -65.29 -24.71 67.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 61.0 111.512 -176.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.621 ' HA ' ' NH2' ' A' ' 31' ' ' ARG . 28.5 t70 -93.61 25.58 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.542 0.687 . . . . 61.0 110.738 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.578 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 88.7 m -81.49 104.56 12.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.17 -0.468 . . . . 61.0 109.901 173.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.621 ' NH2' ' HA ' ' A' ' 29' ' ' ASP . 2.1 tpp180 -110.19 161.18 15.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.033 -0.728 . . . . 61.0 109.033 175.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 4.1 tmt_? 75.63 -53.58 0.64 Allowed 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.667 0.605 . . . . 61.0 109.655 -177.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.4 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 86.8 m95 74.43 156.73 0.18 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 122.058 0.932 . . . . 61.0 113.275 172.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 32.3 m -134.63 164.71 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.621 -1.172 . . . . 61.0 108.661 173.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.59 82.31 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.278 0.473 . . . . 61.0 112.278 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -59.87 -40.34 88.29 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.979 0.362 . . . . 61.0 111.979 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -74.63 -36.27 62.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 61.0 110.354 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 34' ' ' VAL . 98.7 mttt -62.48 -43.56 98.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.97 -0.559 . . . . 61.0 110.187 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -58.63 -40.94 84.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.554 -0.748 . . . . 61.0 111.1 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.18 90.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 61.0 111.024 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.8 t -71.4 -47.54 58.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 61.0 111.191 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.572 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -68.12 -36.93 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.622 -0.263 . . . . 61.0 111.129 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.656 ' HD3' HD12 ' A' ' 14' ' ' LEU . 95.5 mttt -63.05 -37.21 86.29 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.091 -0.337 . . . . 61.0 110.091 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -59.03 -46.85 87.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 61.0 111.012 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.681 HG11 ' HG3' ' A' ' 52' ' ' GLU . 58.3 t -69.91 -43.87 79.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.514 -0.312 . . . . 61.0 111.354 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.21 -27.26 38.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.307 -0.406 . . . . 61.0 111.7 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -87.9 -7.95 56.46 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.73 -0.388 . . . . 61.0 111.175 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.93 9.98 61.83 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.62 -0.8 . . . . 61.0 112.756 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.47 HD22 ' HG ' ' A' ' 20' ' ' LEU . 49.5 tp -67.53 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.089 0.471 . . . . 61.0 110.371 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 31.6 pt -120.32 160.62 20.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.868 -0.606 . . . . 61.0 110.078 179.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.458 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 2.0 t -88.11 154.64 20.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.079 -0.51 . . . . 61.0 110.661 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.681 ' HG3' HG11 ' A' ' 45' ' ' VAL . 3.3 mt-10 -52.54 -42.96 64.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.851 -0.613 . . . . 61.0 110.871 176.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -64.1 -28.41 69.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.612 -0.722 . . . . 61.0 110.823 -177.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' A' ' 51' ' ' THR . 7.1 tp10 -68.18 -52.56 33.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 61.0 109.658 175.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.13 -44.27 92.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.887 -0.597 . . . . 61.0 111.406 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.575 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 41.2 mt -66.01 -33.58 76.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.94 -0.573 . . . . 61.0 111.049 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -78.34 -50.49 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.179 -0.464 . . . . 61.0 111.482 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HB2' HD22 ' A' ' 28' ' ' LEU . 10.7 ptm85 -71.39 -32.46 68.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.664 -0.698 . . . . 61.0 112.131 -172.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.543 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 41.4 m-85 -103.28 -2.07 27.76 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.744 -0.382 . . . . 61.0 111.734 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.5 m 60.77 71.51 0.56 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.516 0.674 . . . . 61.0 110.203 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 73.9 mt -127.26 152.92 46.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.379 -0.828 . . . . 61.0 110.502 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -97.7 161.91 13.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 61.0 109.52 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -58.11 -44.97 87.99 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.118 0.485 . . . . 61.0 110.545 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 9.9 pt-20 -61.16 -25.89 67.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.47 -0.786 . . . . 61.0 111.538 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.532 ' HG2' HD22 ' A' ' 61' ' ' LEU . 13.8 tp10 -70.19 -57.32 5.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.25 0.548 . . . . 61.0 109.529 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.75 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.79 -0.641 . . . . 61.0 110.597 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.23 -40.34 85.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.899 0.381 . . . . 61.0 110.589 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 96.9 mt -68.26 -45.36 73.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.968 -0.56 . . . . 61.0 110.237 177.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 25.3 m0 -54.94 -52.09 64.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.175 -0.466 . . . . 61.0 110.954 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.572 ' HA ' HG21 ' A' ' 42' ' ' VAL . 10.4 ptm180 -69.12 -22.58 63.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 61.0 111.537 -175.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.7 m -80.47 -42.86 21.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.699 0.285 . . . . 61.0 110.514 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -66.84 -34.34 77.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 61.0 111.478 -175.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.448 HG21 HG11 ' A' ' 42' ' ' VAL . 99.0 t -81.43 -53.82 11.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.091 -0.504 . . . . 61.0 111.099 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.25 91.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.055 0.391 . . . . 61.0 112.055 -173.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.14 -12.21 60.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.955 0.407 . . . . 61.0 110.887 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 5.0 t60 -92.04 -22.01 20.18 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.735 -0.468 . . . . 61.0 109.735 177.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -94.13 -8.98 59.81 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.839 -0.696 . . . . 61.0 112.717 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.58 ' HA ' ' OH ' ' A' ' 89' ' ' TYR . 10.0 pt-20 -82.02 23.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 61.0 111.261 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -100.53 -5.63 26.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.327 0.584 . . . . 61.0 109.789 173.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -131.27 100.58 5.23 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.349 -0.841 . . . . 61.0 110.029 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.521 ' HG ' ' HE2' ' A' ' 89' ' ' TYR . 6.3 mp -103.28 84.45 2.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.289 -0.414 . . . . 61.0 111.427 -174.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 85' ' ' MET . 42.2 tttp -64.85 153.84 38.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.507 -0.923 . . . . 61.0 108.507 170.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.6 p -56.49 -31.34 33.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 121.069 0.462 . . . . 61.0 111.321 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.0 m -91.65 0.17 57.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.377 0.608 . . . . 61.0 111.01 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.409 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . 12.4 tpt -87.45 -25.58 23.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.354 -0.385 . . . . 61.0 110.828 -176.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 86' ' ' ILE . 5.3 mp -63.57 -38.79 83.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.94 0.4 . . . . 61.0 110.512 -178.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -61.14 -39.0 88.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.987 0.422 . . . . 61.0 109.933 176.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.614 ' HA ' ' HG2' ' A' ' 91' ' ' GLN . 63.7 mttp -67.59 -30.77 70.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.816 -0.629 . . . . 61.0 110.557 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.58 ' OH ' ' HA ' ' A' ' 78' ' ' GLU . 21.0 m-85 -69.11 -39.89 78.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.965 0.412 . . . . 61.0 110.371 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -75.25 -17.71 60.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.512 . . . . 61.0 111.615 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.614 ' HG2' ' HA ' ' A' ' 88' ' ' LYS . 19.8 pt20 -102.46 -9.14 20.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.99 0.424 . . . . 61.0 110.759 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.614 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 5.8 tt -91.39 121.13 32.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.041 -0.527 . . . . 61.0 110.891 -173.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -92.13 122.88 35.04 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.353 -0.61 . . . . 61.0 109.353 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.423 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 79.9 m80 -87.71 -24.13 23.95 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.893 0.701 . . . . 61.0 112.893 -171.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.826 -0.606 . . . . 61.0 110.671 178.952 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 ttp . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 120.696 0.284 . . . . 61.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -80.58 -40.83 25.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.108 -0.496 . . . . 61.0 110.663 -175.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -111.78 42.39 1.74 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.987 -0.551 . . . . 61.0 109.996 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.658 ' HG3' ' H ' ' A' ' 5' ' ' ARG . 37.7 tptt 63.85 -167.73 0.21 Allowed 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.429 -0.952 . . . . 61.0 108.429 -174.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.658 ' H ' ' HG3' ' A' ' 4' ' ' LYS . 45.0 ttp180 70.02 162.23 0.23 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.524 0.678 . . . . 61.0 112.162 168.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.481 HG12 ' H ' ' A' ' 8' ' ' GLY . 32.9 t -80.56 132.81 30.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.078 -0.712 . . . . 61.0 109.078 171.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -80.38 -16.72 53.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.09 0.471 . . . . 61.0 111.27 -174.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.481 ' H ' HG12 ' A' ' 6' ' ' VAL . . . -112.26 140.88 16.48 Favored Glycine 0 N--CA 1.442 -0.938 0 N-CA-C 111.046 -0.822 . . . . 61.0 111.046 176.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HD2' ' O ' ' A' ' 48' ' ' GLY . 51.0 Cg_exo -54.43 154.11 20.54 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.763 2.309 . . . . 61.0 111.893 178.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 22' ' ' ARG . 12.5 ptm180 -87.05 -17.38 33.04 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.523 -0.547 . . . . 61.0 109.523 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.616 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.5 pt20 -154.73 135.84 13.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 61.0 110.729 175.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.6 m -119.9 147.5 23.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.77 -0.65 . . . . 61.0 110.343 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.6 m -90.75 122.38 33.45 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.281 -0.418 . . . . 61.0 110.634 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -64.27 155.96 77.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.631 -0.507 . . . . 61.0 109.631 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.617 ' HD2' ' OXT' ' A' ' 95' ' ' HIS . 32.1 Cg_exo -58.68 -22.95 63.5 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.298 1.999 . . . . 61.0 111.918 176.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 1.061 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 8.5 t70 -70.12 -37.74 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.541 -0.754 . . . . 61.0 110.261 175.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.0 1.65 16.68 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.879 -0.888 . . . . 61.0 110.879 -170.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -75.05 165.36 25.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.606 0.362 . . . . 61.0 110.375 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.7 t -113.08 123.78 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.922 0.391 . . . . 61.0 110.944 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.644 ' HB2' HD21 ' A' ' 14' ' ' LEU . 52.5 tp -116.43 100.17 7.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.839 -0.619 . . . . 61.0 109.522 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.616 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 85.2 p -98.82 171.94 7.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.142 -0.481 . . . . 61.0 110.651 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 10' ' ' ARG . 52.4 mtt-85 -72.11 -1.93 16.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.895 -0.593 . . . . 61.0 110.367 175.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.05 -6.33 26.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.448 -0.796 . . . . 61.0 109.917 172.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' HB2' HD12 ' A' ' 20' ' ' LEU . 16.6 m-20 -93.75 -19.27 21.22 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.911 -0.586 . . . . 61.0 109.737 175.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.4 mt -55.17 132.88 68.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.703 -0.68 . . . . 61.0 110.064 173.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.36 147.22 95.29 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.294 1.996 . . . . 61.0 111.463 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.0 153.76 76.79 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.523 2.148 . . . . 61.0 112.267 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.54 -13.98 61.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.07 0.462 . . . . 61.0 110.343 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.75 -12.76 61.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.414 -0.812 . . . . 61.0 110.607 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.2 m -84.94 100.12 11.42 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.179 0.514 . . . . 61.0 111.24 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 14.0 tpt180 -104.23 -24.07 13.17 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.815 -0.63 . . . . 61.0 109.363 170.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 1.7 ptt180 -80.67 71.21 7.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 122.045 0.926 . . . . 61.0 109.433 174.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -63.74 124.8 22.4 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.99 -1.005 . . . . 61.0 112.233 -175.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -106.57 169.83 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.24 -0.891 . . . . 61.0 109.208 172.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.67 76.61 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.026 0.38 . . . . 61.0 112.026 -175.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.4 t -59.67 -45.05 93.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.454 -0.339 . . . . 61.0 111.877 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -71.11 -35.36 71.75 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.829 -0.348 . . . . 61.0 110.697 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.18 -46.25 81.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.017 0.437 . . . . 61.0 110.246 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.0 81.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.327 -0.851 . . . . 61.0 111.246 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.48 -44.56 84.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.339 -0.391 . . . . 61.0 111.067 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.26 -51.11 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.498 -0.319 . . . . 61.0 111.636 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.42 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.7 p -66.32 -39.97 85.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 121.062 -0.255 . . . . 61.0 110.997 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -63.14 -33.43 75.45 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 110.064 -0.347 . . . . 61.0 110.064 176.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.421 ' HB1' HD23 ' A' ' 49' ' ' LEU . . . -62.49 -45.44 93.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 61.0 110.86 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 59.5 t -70.6 -41.38 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.235 -0.439 . . . . 61.0 110.743 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.56 -38.36 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.831 -0.622 . . . . 61.0 111.454 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -82.24 -25.06 34.46 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.033 -0.267 . . . . 61.0 111.503 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' HD2' ' A' ' 9' ' ' PRO . . . 109.51 5.13 30.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.341 -0.933 . . . . 61.0 113.091 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.531 HD22 ' HG ' ' A' ' 20' ' ' LEU . 44.1 tp -56.97 -57.47 12.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.306 0.574 . . . . 61.0 109.743 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 33.7 pt -126.03 162.69 29.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.47 -0.786 . . . . 61.0 109.296 176.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 54' ' ' GLU . 4.7 t -87.94 156.21 19.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.405 0.622 . . . . 61.0 110.515 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.506 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.7 tt0 -55.8 -42.74 76.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.21 -0.904 . . . . 61.0 110.412 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -68.24 -26.67 65.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.69 -0.687 . . . . 61.0 110.908 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 10.6 tp10 -67.63 -45.27 75.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.601 -0.518 . . . . 61.0 109.601 177.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.46 -46.77 75.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.857 -0.61 . . . . 61.0 110.64 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.523 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 68.6 mt -61.54 -32.83 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 61.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -72.93 -58.23 3.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.901 -0.59 . . . . 61.0 111.191 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.2 ptp180 -69.36 -40.97 77.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.098 -0.501 . . . . 61.0 111.993 -173.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -88.39 -0.42 57.16 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.841 -0.343 . . . . 61.0 111.3 -175.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 t 54.81 64.79 1.69 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.645 0.736 . . . . 61.0 109.657 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.523 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 91.1 mt -117.38 163.92 15.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.196 -0.911 . . . . 61.0 110.401 -178.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -114.26 162.61 16.35 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.785 -0.643 . . . . 61.0 109.619 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -62.84 -36.36 82.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.433 0.16 . . . . 61.0 111.433 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 12.9 pt-20 -60.22 -35.9 76.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 61.0 110.34 175.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' HG2' HD22 ' A' ' 61' ' ' LEU . 11.5 tp10 -71.56 -55.18 8.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.878 -0.601 . . . . 61.0 110.041 -179.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.429 ' HB2' HD21 ' A' ' 56' ' ' LEU . 59.0 t80 -62.71 -34.04 76.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 61.0 110.824 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.8 73.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.953 0.406 . . . . 61.0 110.541 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 94.2 mt -74.26 -37.67 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 61.0 109.93 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -58.81 -53.61 56.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.424 -0.353 . . . . 61.0 111.038 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.42 ' HA ' HG21 ' A' ' 42' ' ' VAL . 12.3 ptm180 -63.02 -32.26 73.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.662 -0.244 . . . . 61.0 111.346 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.558 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 49.1 m -76.64 -28.6 56.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.735 0.302 . . . . 61.0 111.591 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.11 -23.51 19.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.929 0.344 . . . . 61.0 111.929 -177.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.07 -62.93 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.583 0.23 . . . . 61.0 111.333 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.76 ' HA ' HD13 ' A' ' 92' ' ' LEU . . . -71.04 -44.59 65.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.095 0.474 . . . . 61.0 110.749 -175.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 71' ' ' SER . . . -90.72 27.33 1.8 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.924 -0.58 . . . . 61.0 110.73 -177.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -86.55 18.8 3.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.152 0.501 . . . . 61.0 110.676 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.492 ' HA3' ' CZ ' ' A' ' 89' ' ' TYR . . . -76.96 60.96 3.42 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.711 -0.955 . . . . 61.0 110.711 172.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.6 ' HA ' HD11 ' A' ' 81' ' ' LEU . 12.6 pt-20 -70.27 8.0 0.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 123.544 0.738 . . . . 61.0 112.933 -169.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 70.4 mmtt -96.44 -30.45 13.36 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.016 -0.274 . . . . 61.0 111.259 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.89 90.5 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 61.0 111.186 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.6 HD11 ' HA ' ' A' ' 78' ' ' GLU . 5.2 mp -93.47 64.84 3.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.282 0.563 . . . . 61.0 110.162 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.588 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 22.7 tptm -76.97 150.04 35.91 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.861 -0.792 . . . . 61.0 108.861 177.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.577 ' HA ' HD12 ' A' ' 86' ' ' ILE . 7.4 p -44.17 -40.04 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 123.555 0.534 . . . . 61.0 112.303 -176.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.5 m -75.32 -44.02 47.7 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.029 -0.532 . . . . 61.0 111.481 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.588 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 1.1 mpt? -63.23 -32.47 73.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.553 -0.749 . . . . 61.0 111.966 -173.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.578 HG22 ' HE ' ' A' ' 90' ' ' ARG . 4.6 mt -58.32 -36.76 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.441 -0.345 . . . . 61.0 110.801 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -54.95 -42.0 71.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.096 0.474 . . . . 61.0 110.903 177.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 88' ' ' LYS . 28.1 mmtp -89.17 0.11 57.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.786 -0.643 . . . . 61.0 111.0 -176.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.492 ' CZ ' ' HA3' ' A' ' 77' ' ' GLY . 15.4 m-85 -93.97 -37.7 11.55 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.327 -0.62 . . . . 61.0 109.327 168.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.578 ' HE ' HG22 ' A' ' 86' ' ' ILE . 82.0 mtt180 -57.44 -44.94 85.14 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.288 -0.634 . . . . 61.0 109.288 173.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -106.72 60.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.053 -0.976 . . . . 61.0 108.852 170.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' ' 74' ' ' ALA . 1.1 pt? -54.57 127.42 27.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.116 -0.947 . . . . 61.0 110.271 -178.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.563 ' HA ' ' HG2' ' A' ' 15' ' ' PRO . 3.1 p80 -133.32 99.11 4.43 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 119.546 -0.862 . . . . 61.0 111.318 -176.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -160.52 -55.6 0.05 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.681 -1.145 . . . . 61.0 107.941 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 1.061 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 48.5 t60 . . . . . 0 C--O 1.249 1.036 0 CA-C-N 115.33 -0.85 . . . . 61.0 109.243 171.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.717 0.294 . . . . 99.989999999999995 110.547 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -76.82 117.11 18.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.391 0.615 . . . . 99.989999999999995 109.727 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 tt -163.58 -60.17 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.412 -0.813 . . . . 99.989999999999995 108.874 -175.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -91.51 23.18 3.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.379 -0.828 . . . . 99.989999999999995 109.725 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -165.27 110.2 0.89 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.989 -1.005 . . . . 99.989999999999995 108.461 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.64 135.62 28.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 116.162 -0.472 . . . . 99.989999999999995 111.678 -175.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -81.72 81.33 7.8 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.48 0.657 . . . . 99.989999999999995 109.468 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.39 -154.88 17.53 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.538 -0.756 . . . . 47.100000000000001 111.379 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.741 ' HG2' ' HA ' ' A' ' 49' ' ' LEU . 41.0 Cg_endo -68.31 141.52 51.98 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 121.955 1.77 . . . . 18.199999999999999 111.685 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -86.27 -20.67 28.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.218 0.533 . . . . 99.989999999999995 109.798 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.564 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.7 pt20 -147.03 150.07 34.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.503 -0.771 . . . . 61.0 110.457 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.89 174.46 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.008 -0.542 . . . . 1.1200000000000001 109.839 172.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 m -117.46 143.34 46.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.177 0.513 . . . . 3.4300000000000002 111.01 -175.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -93.95 146.94 32.6 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.08 -0.509 . . . . 4.3899999999999997 109.691 176.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.79 -9.07 15.08 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.566 2.177 . . . . 99.989999999999995 111.007 172.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.32 -17.46 54.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.68 -1.145 . . . . 82.609999999999999 110.447 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.0 3.84 56.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.928 -0.654 . . . . 11.6 111.887 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 19' ' ' VAL . 25.0 m -98.57 166.62 11.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.67 -0.265 . . . . 7.4299999999999997 110.354 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.427 ' N ' HG22 ' A' ' 18' ' ' THR . 57.8 t -115.05 133.91 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.98 0.419 . . . . 3.0699999999999998 110.638 -177.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.611 ' HB2' HD21 ' A' ' 14' ' ' LEU . 57.8 tp -119.56 105.05 10.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.102 -0.499 . . . . 1.6200000000000001 110.229 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.564 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 67.5 p -100.48 169.42 9.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.205 -0.452 . . . . 61.0 109.856 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' CZ ' HG22 ' A' ' 50' ' ' ILE . 43.9 mtt-85 -70.94 -22.59 62.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.924 0.393 . . . . 49.810000000000002 111.237 -178.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.54 -14.27 43.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.26 -0.427 . . . . 5.9900000000000002 110.648 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -82.95 -22.31 33.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 61.0 110.467 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 mt -49.47 145.52 7.76 Favored Pre-proline 0 N--CA 1.465 0.288 0 CA-C-N 115.664 -0.698 . . . . 1.5900000000000001 111.438 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.66 158.83 18.7 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.205 2.603 . . . . 61.0 112.383 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.67 158.84 55.37 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.551 2.167 . . . . 3.4900000000000002 112.581 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.1 mt -84.09 -4.35 58.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.398 0.618 . . . . 6.5999999999999996 109.742 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.04 -19.5 47.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.329 -0.851 . . . . 76.959999999999994 111.425 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.2 m -72.83 117.85 15.04 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.16 -0.473 . . . . 12.33 111.878 -176.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -110.53 -42.93 3.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.954 -0.758 . . . . 99.989999999999995 108.954 171.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -80.19 78.61 6.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.82 -0.807 . . . . 99.989999999999995 108.82 173.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.7 m95 -64.45 150.94 45.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.083 -0.962 . . . . 5.29 112.604 -176.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.4 m -123.22 161.52 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.008 -0.996 . . . . 4.2000000000000002 108.856 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.23 75.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.354 0.502 . . . . 2.4399999999999999 112.354 -172.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 m -60.09 -41.57 92.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.332 . . . . 17.440000000000001 111.444 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -74.35 -36.52 63.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.767 0.318 . . . . 61.0 110.487 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -61.72 -44.65 96.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.534 . . . . 3.9500000000000002 110.381 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.64 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.533 -0.758 . . . . 0.79000000000000004 111.1 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.94 -47.67 82.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.3 -0.409 . . . . 0.94999999999999996 111.169 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.35 -50.76 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.274 -0.421 . . . . 0.51000000000000001 111.439 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.53 HG21 ' HA ' ' A' ' 70' ' ' ARG . 12.4 p -67.64 -37.43 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.318 -0.401 . . . . 0.65000000000000002 111.316 -175.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.9 -30.75 70.17 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.642 0.258 . . . . 9.1500000000000004 110.536 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -62.56 -43.36 98.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.46000000000000002 110.107 177.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 62.4 t -70.75 -41.93 77.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 0.82999999999999996 111.034 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.48 -33.41 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.328 -0.397 . . . . 61.0 111.477 -177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -86.32 -6.35 58.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 2.0899999999999999 111.327 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.41 26.16 52.26 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.684 -0.77 . . . . 2.5600000000000001 112.579 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.741 ' HA ' ' HG2' ' A' ' 9' ' ' PRO . 52.2 tp -76.3 -55.34 5.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.596 0.712 . . . . 61.0 109.181 175.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.476 HG22 ' CZ ' ' A' ' 22' ' ' ARG . 33.6 pt -121.89 164.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.798 -1.092 . . . . 0.95999999999999996 108.518 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 54' ' ' GLU . 8.9 t -93.71 152.06 19.22 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 119.991 -0.684 . . . . 61.0 109.858 176.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.0 tt0 -51.55 -42.71 62.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.257 0.551 . . . . 23.170000000000002 110.871 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.455 ' HA ' HD12 ' A' ' 56' ' ' LEU . 13.0 mmm180 -69.64 -25.74 64.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.4 -0.818 . . . . 99.989999999999995 110.436 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 79.1 tt0 -72.96 -41.39 64.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.685 . . . . 37.359999999999999 109.643 178.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.48 92.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.796 -0.638 . . . . 1.04 110.313 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 67.8 mt -59.41 -38.39 80.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.674 -0.694 . . . . 1.54 110.778 177.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.83 -57.5 4.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 41.530000000000001 111.651 -177.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 10.3 ptp180 -69.57 -36.69 76.53 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.14 0.422 . . . . 42.979999999999997 112.14 -172.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -92.87 -2.08 56.18 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.967 -0.293 . . . . 2.2599999999999998 111.154 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.3 t 55.83 67.14 1.05 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.683 0.614 . . . . 18.75 110.069 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.491 HD22 ' HG2' ' A' ' 65' ' ' GLU . 84.0 mt -125.39 148.31 48.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.523 -0.762 . . . . 3.0 110.145 -178.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.4 m -96.44 164.02 12.81 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.793 -0.447 . . . . 3.2599999999999998 109.793 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.66 -36.95 84.51 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.455 0.169 . . . . 40.850000000000001 111.089 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 10.8 pt-20 -58.56 -21.69 53.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.492 -0.322 . . . . 35.079999999999998 111.063 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.491 ' HG2' HD22 ' A' ' 61' ' ' LEU . 10.6 tp10 -85.91 -60.77 1.92 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 21.57 109.815 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.16 -35.2 74.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.759 -0.655 . . . . 19.800000000000001 111.653 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.34 72.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.568 -0.287 . . . . 61.0 110.582 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 80.2 mt -74.94 -40.25 60.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.369 -0.378 . . . . 2.7400000000000002 110.12 176.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -54.15 -53.14 57.47 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.98 -0.555 . . . . 1.1499999999999999 110.736 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.53 ' HA ' HG21 ' A' ' 42' ' ' VAL . 15.5 ptm180 -66.08 -32.2 73.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 69.280000000000001 111.222 -178.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.469 ' HA ' HD11 ' A' ' 92' ' ' LEU . 57.8 m -71.99 -28.86 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 16.210000000000001 111.474 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.82 -40.58 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.242 0.46 . . . . 8.7699999999999996 112.242 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.3 t -83.55 -43.03 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 111.981 0.363 . . . . 6.7300000000000004 111.981 -175.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB3' HD12 ' A' ' 92' ' ' LEU . . . -73.25 -30.31 63.37 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.987 -0.285 . . . . 15.529999999999999 111.33 -176.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.23 -1.32 48.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.092 0.472 . . . . 25.309999999999999 110.893 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -81.06 108.6 14.87 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.316 -0.624 . . . . 90.540000000000006 109.316 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.25 55.18 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 110.905 -0.878 . . . . 97.980000000000004 110.905 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -87.42 2.38 50.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.235 -0.482 . . . . 99.989999999999995 111.462 -172.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -79.4 -47.71 15.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.673 -0.24 . . . . 99.989999999999995 111.542 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 85' ' ' MET . . . -151.09 134.32 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.621 -0.263 . . . . 99.989999999999995 110.736 -177.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 mp -115.42 74.56 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 99.989999999999995 110.631 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.495 ' O ' HD12 ' A' ' 86' ' ' ILE . 36.6 ttpt -83.92 168.67 15.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.126 -0.694 . . . . 99.989999999999995 109.126 177.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.602 ' HA ' HD13 ' A' ' 86' ' ' ILE . 8.2 p -47.73 -38.47 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 112.307 0.484 . . . . 99.989999999999995 112.307 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 m -61.79 -34.67 76.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.234 0.54 . . . . 99.989999999999995 111.129 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 80' ' ' ALA . 25.4 mmt -74.42 -28.73 61.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.72 -0.673 . . . . 99.989999999999995 111.224 -174.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.602 HD13 ' HA ' ' A' ' 83' ' ' VAL . 2.6 mp -60.79 -31.56 49.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.695 -0.229 . . . . 99.989999999999995 110.915 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -52.97 -44.12 66.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.765 0.317 . . . . 99.989999999999995 110.154 176.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -59.1 -48.46 81.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.726 -0.67 . . . . 99.989999999999995 111.262 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -82.64 -31.6 28.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.889 -0.596 . . . . 99.989999999999995 111.447 -170.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 86' ' ' ILE . 8.8 ptm180 -80.12 -22.7 41.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.598 -0.273 . . . . 99.989999999999995 110.804 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -89.26 -22.88 22.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.014 -0.736 . . . . 99.989999999999995 109.014 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.469 HD11 ' HA ' ' A' ' 71' ' ' SER . 6.7 tt -62.76 -53.75 49.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.834 -1.076 . . . . 99.989999999999995 109.412 173.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -84.81 112.4 20.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.487 -0.779 . . . . 99.989999999999995 110.864 -176.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -116.88 86.66 2.54 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.996 -0.372 . . . . 99.989999999999995 109.996 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.524 -0.751 . . . . 99.989999999999995 109.532 178.928 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 121.359 0.599 . . . . 61.0 109.79 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.577 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.5 pt20 -147.38 130.85 16.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.466 -0.788 . . . . 61.0 110.185 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.4 m -109.54 167.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.84 -0.618 . . . . 61.0 110.415 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.4 m -107.11 145.15 32.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.506 -0.315 . . . . 61.0 110.281 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.757 HD21 ' HB2' ' A' ' 20' ' ' LEU . 2.9 mm? -98.32 156.8 35.38 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.899 -0.408 . . . . 61.0 109.899 177.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.78 -16.02 41.29 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.037 1.825 . . . . 61.0 110.293 174.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.1 -25.05 63.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.616 -1.175 . . . . 61.0 110.431 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.14 2.03 51.4 Favored Glycine 0 N--CA 1.453 -0.175 0 N-CA-C 111.098 -0.801 . . . . 61.0 111.098 -173.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.513 ' HB ' HD23 ' A' ' 14' ' ' LEU . 6.4 m -86.04 164.38 17.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.086 -0.557 . . . . 61.0 110.498 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.7 t -111.1 132.69 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.589 -0.522 . . . . 61.0 109.589 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.757 ' HB2' HD21 ' A' ' 14' ' ' LEU . 61.4 tp -119.09 96.86 5.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.97 0.414 . . . . 61.0 110.026 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.577 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.6 p -87.99 173.1 9.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.142 -0.481 . . . . 61.0 109.972 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.422 ' HG3' HD11 ' A' ' 49' ' ' LEU . 78.2 mtt180 -75.36 -1.26 22.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.265 0.555 . . . . 61.0 110.1 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.38 -14.12 17.72 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.489 -0.778 . . . . 61.0 110.598 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' CB ' HD12 ' A' ' 20' ' ' LEU . 3.0 m-20 -78.99 -17.0 56.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.202 -0.453 . . . . 61.0 111.168 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.9 mt -54.19 137.21 58.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 61.0 111.06 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.16 157.63 33.99 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.23 2.62 . . . . 61.0 111.956 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.481 ' O ' HG22 ' A' ' 30' ' ' THR . 32.3 Cg_exo -58.6 152.33 56.44 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.76 2.307 . . . . 61.0 112.385 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -80.91 -24.4 38.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.193 -0.458 . . . . 61.0 110.341 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -80.78 -15.68 55.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.683 -0.689 . . . . 61.0 111.329 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 27' ' ' PRO . 3.7 t -72.9 137.68 45.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.248 0.546 . . . . 61.0 110.422 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -124.99 -23.51 4.23 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.279 0.561 . . . . 61.0 109.596 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -74.27 80.47 1.83 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.733 0.777 . . . . 61.0 109.05 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -78.92 97.75 6.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.065 -0.971 . . . . 61.0 112.167 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.9 m -78.56 165.84 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.621 -0.718 . . . . 61.0 109.973 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.02 77.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.041 0.386 . . . . 61.0 112.041 -175.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.5 m -64.54 -34.98 79.51 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.007 0.373 . . . . 61.0 112.007 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -71.86 -39.45 69.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 61.0 110.431 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -64.02 -41.58 97.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.059 -0.519 . . . . 61.0 109.974 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.7 -45.75 91.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.635 -0.711 . . . . 61.0 111.206 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.01 81.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 61.0 111.317 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.14 -49.38 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 61.0 111.39 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.543 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.6 p -67.93 -38.84 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.888 -0.325 . . . . 61.0 111.212 -176.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.8 mttt -62.93 -33.99 76.52 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.729 0.299 . . . . 61.0 110.233 177.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.31 -47.42 86.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 61.0 110.675 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.4 t -65.6 -45.58 91.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.157 -0.474 . . . . 61.0 110.833 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 42' ' ' VAL . 83.5 mt -61.38 -40.37 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.585 . . . . 61.0 111.527 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -84.94 -1.95 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.903 0.334 . . . . 61.0 111.903 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.73 22.35 62.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.552 -0.832 . . . . 61.0 112.595 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.516 HD22 ' HG ' ' A' ' 20' ' ' LEU . 35.7 tp -73.42 -46.39 48.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.15 -0.685 . . . . 61.0 109.15 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.1 pt -133.73 -179.59 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.825 -1.08 . . . . 61.0 108.647 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.6 t -109.29 155.48 21.1 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.322 -0.551 . . . . 61.0 110.265 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.7 tt0 -54.38 -43.89 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.065 -176.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.436 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 9.0 mmt180 -70.04 -20.09 63.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.406 . . . . 61.0 111.975 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 4.6 tp10 -78.28 -37.29 45.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.15 0.5 . . . . 61.0 109.81 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.83 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.806 -0.634 . . . . 61.0 110.471 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 66' ' ' PHE . 53.1 mt -61.11 -34.69 75.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.734 -0.666 . . . . 61.0 110.443 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.84 -54.48 18.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.323 -0.853 . . . . 61.0 111.544 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.7 ptp180 -77.07 -32.48 56.8 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.493 0.553 . . . . 61.0 112.493 -171.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -97.27 1.89 50.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.808 -0.357 . . . . 61.0 111.336 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.4 m 57.69 66.24 1.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.289 0.566 . . . . 61.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 65' ' ' GLU . 62.4 mt -125.76 164.14 21.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.641 . . . . 61.0 111.115 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 18.4 m -103.72 162.19 13.29 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.117 -0.697 . . . . 61.0 109.117 172.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -67.27 -34.8 78.18 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.817 0.342 . . . . 61.0 110.694 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.77 -29.46 70.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.002 0.429 . . . . 61.0 110.653 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.502 ' HG2' HD22 ' A' ' 61' ' ' LEU . 19.1 tp10 -67.18 -51.65 50.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.761 -0.654 . . . . 61.0 109.349 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.559 ' HB2' HD21 ' A' ' 56' ' ' LEU . 57.5 t80 -60.59 -33.13 72.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.608 -0.724 . . . . 61.0 110.503 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.37 82.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.096 -0.502 . . . . 61.0 110.537 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.47 -44.92 77.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.09 -0.505 . . . . 61.0 110.051 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -56.64 -53.31 59.18 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.963 -0.562 . . . . 61.0 111.287 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.543 ' HA ' HG21 ' A' ' 42' ' ' VAL . 15.4 ptt180 -66.02 -27.79 68.38 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.062 -0.255 . . . . 61.0 111.468 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.2 m -79.8 -28.62 40.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.536 0.208 . . . . 61.0 111.212 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.19 -15.82 34.97 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.721 0.267 . . . . 61.0 111.721 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.7 t . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 120.793 0.33 . . . . 61.0 111.722 -178.384 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 111.24 0.089 . . . . 61.0 111.24 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.584 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.1 pt20 -148.7 145.15 27.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 61.0 110.92 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -131.45 160.05 42.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.043 -0.526 . . . . 61.0 110.719 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m -91.68 144.36 25.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.13 -0.486 . . . . 61.0 110.634 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.694 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.5 mm? -100.96 157.91 32.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 61.0 110.342 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.43 -17.91 43.89 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.238 1.959 . . . . 61.0 110.146 171.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.95 -10.31 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.517 -1.22 . . . . 61.0 110.075 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.5 0.34 73.12 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 115.97 -0.559 . . . . 61.0 112.425 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.89 173.24 10.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.788 0.328 . . . . 61.0 111.224 -177.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.1 t -117.13 124.43 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 61.0 109.787 174.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.614 ' HB2' HD21 ' A' ' 14' ' ' LEU . 34.1 tp -112.26 106.47 15.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.128 -0.487 . . . . 61.0 110.002 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.584 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 78.5 p -96.15 169.53 9.89 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.034 -0.728 . . . . 61.0 109.034 175.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.458 HH11 ' HD2' ' A' ' 22' ' ' ARG . 14.1 mtp180 -68.94 -14.59 63.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.322 0.582 . . . . 61.0 110.173 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.93 -18.22 33.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.688 -0.687 . . . . 61.0 110.57 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.515 ' HB2' HD12 ' A' ' 20' ' ' LEU . 9.8 m-20 -81.1 -11.9 59.38 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.156 -0.474 . . . . 61.0 110.625 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 66.4 mt -60.62 139.89 92.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.843 -0.617 . . . . 61.0 110.794 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.99 157.65 28.3 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.347 2.698 . . . . 61.0 112.76 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.585 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 20.6 Cg_endo -59.74 140.89 95.59 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.033 2.488 . . . . 61.0 112.601 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.35 -28.7 69.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.517 -0.765 . . . . 61.0 111.659 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -84.15 13.85 4.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.403 0.62 . . . . 61.0 111.066 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.585 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 63.4 m -78.84 114.46 17.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.171 0.51 . . . . 61.0 110.372 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -111.37 -43.0 3.77 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.807 -0.812 . . . . 61.0 108.807 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -81.03 73.48 8.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.887 0.851 . . . . 61.0 109.788 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -65.85 136.88 56.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.663 -1.153 . . . . 61.0 112.296 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.3 m -104.76 168.56 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.593 -0.73 . . . . 61.0 109.261 171.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.92 82.37 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.112 0.412 . . . . 61.0 112.112 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.0 m -60.9 -39.59 89.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.894 0.331 . . . . 61.0 111.894 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -71.66 -39.03 70.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.621 0.248 . . . . 61.0 110.648 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -62.55 -45.34 93.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.926 0.393 . . . . 61.0 110.495 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.9 87.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 61.0 111.408 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.51 84.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 61.0 111.325 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.4 t -69.14 -50.91 48.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.347 -0.388 . . . . 61.0 111.396 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.34 -37.07 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.621 -0.263 . . . . 61.0 110.917 -177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.694 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.7 mttt -63.81 -39.26 93.8 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.552 0.215 . . . . 61.0 110.518 176.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.496 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -58.12 -46.45 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 61.0 110.707 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.37 -48.08 78.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.06 -0.518 . . . . 61.0 111.258 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.06 -31.39 53.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.019 -0.537 . . . . 61.0 111.994 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -83.68 -17.63 40.77 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.845 -0.342 . . . . 61.0 111.348 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.73 16.96 32.09 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.49 -0.862 . . . . 61.0 112.987 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.6 tp -72.28 -53.75 11.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.471 -0.566 . . . . 61.0 109.471 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.9 pt -124.85 173.81 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.296 -0.866 . . . . 61.0 109.219 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.505 HG23 ' H ' ' A' ' 54' ' ' GLU . 2.7 t -99.28 151.03 21.5 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.288 0.566 . . . . 61.0 111.076 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.513 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 29.6 tt0 -54.08 -40.41 67.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.734 -1.121 . . . . 61.0 110.402 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -64.75 -35.82 82.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.071 -0.968 . . . . 61.0 110.793 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 28.1 tt0 -68.11 -48.33 65.75 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.998 -0.546 . . . . 61.0 109.876 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.27 -44.57 71.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.56 . . . . 61.0 111.051 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.557 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 24.3 mt -62.39 -46.16 89.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.001 -0.545 . . . . 61.0 110.656 178.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -67.98 -49.69 60.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.863 -0.608 . . . . 61.0 111.513 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 14.9 ptm180 -73.04 -30.37 63.69 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.476 0.547 . . . . 61.0 112.476 -173.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.559 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 47.5 m-85 -104.84 5.11 32.83 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.708 -0.397 . . . . 61.0 111.646 -177.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 m 63.28 30.16 15.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.363 0.602 . . . . 61.0 110.651 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 65.1 mt -87.48 145.57 26.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.859 -0.609 . . . . 61.0 110.471 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 35.5 m -90.54 162.34 15.07 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.497 -0.557 . . . . 61.0 109.497 173.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -63.42 -38.39 90.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.371 -0.377 . . . . 61.0 110.758 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.59 -26.21 64.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.331 -0.395 . . . . 61.0 111.247 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' A' ' 62' ' ' SER . 6.9 tp10 -65.46 -58.15 6.54 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.36 -0.608 . . . . 61.0 109.36 175.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.82 -29.96 69.8 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.766 -0.652 . . . . 61.0 110.594 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.68 83.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.144 -0.48 . . . . 61.0 110.911 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.18 -41.41 70.37 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.458 -0.337 . . . . 61.0 110.369 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.9 m0 -55.39 -53.39 56.87 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.8 -0.636 . . . . 61.0 110.351 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -71.31 -19.5 62.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.788 -0.642 . . . . 61.0 111.01 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.8 t -70.32 -40.15 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.427 . . . . 61.0 109.94 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.42 -45.52 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.029 -0.532 . . . . 61.0 111.568 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.328 -0.361 0 N-CA-C 112.073 0.397 . . . . 61.0 112.073 -174.256 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.496 ' HA ' ' CD ' ' A' ' 22' ' ' ARG . 97.0 mtt180 . . . . . 0 N--CA 1.45 -0.447 0 CA-C-O 120.679 0.276 . . . . 61.0 110.961 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 14.0 pt20 -164.01 142.29 7.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 61.0 110.707 175.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 20' ' ' LEU . 15.9 m -129.85 162.44 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.791 -0.64 . . . . 61.0 110.087 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.3 m -95.74 136.24 36.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.846 0.355 . . . . 61.0 111.011 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.0 mm? -85.52 161.47 51.13 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 61.0 109.966 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HD3' ' NE2' ' A' ' 47' ' ' HIS . 14.3 Cg_exo -68.88 -16.84 41.65 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.218 1.946 . . . . 61.0 110.127 172.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.38 -17.94 61.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.302 -1.317 . . . . 61.0 110.258 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.41 -5.48 67.65 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.337 -0.705 . . . . 61.0 111.337 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.513 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.4 m -78.69 168.89 19.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.339 -0.43 . . . . 61.0 110.636 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.5 t -108.55 131.68 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.936 0.398 . . . . 61.0 110.125 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.795 ' HB2' HD21 ' A' ' 14' ' ' LEU . 63.2 tp -113.11 97.21 6.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.526 . . . . 61.0 110.251 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 97.1 p -88.24 173.02 9.03 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.737 -0.468 . . . . 61.0 109.737 177.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CD ' ' HA ' ' A' ' 10' ' ' ARG . 74.2 mtp85 -70.42 -11.29 60.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.033 0.445 . . . . 61.0 110.682 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.15 -4.8 34.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.674 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.43 ' CB ' HD12 ' A' ' 20' ' ' LEU . 3.6 m-20 -83.82 -15.6 47.72 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.268 -0.423 . . . . 61.0 110.575 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.42 141.02 88.18 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-N 116.092 -0.504 . . . . 61.0 110.405 175.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.32 146.08 93.33 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.776 2.317 . . . . 61.0 111.87 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.46 154.38 59.6 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.014 2.476 . . . . 61.0 112.615 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.62 -9.15 56.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 61.0 111.068 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -83.7 -8.51 59.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 61.0 110.689 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.5 m -79.19 101.25 7.85 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.148 -0.478 . . . . 61.0 111.071 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -32.82 9.58 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.78 -0.822 . . . . 61.0 108.78 171.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.86 80.63 4.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.54 -0.911 . . . . 61.0 108.54 173.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -74.59 118.76 17.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.109 -0.951 . . . . 61.0 112.585 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -96.52 162.92 2.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.764 -0.653 . . . . 61.0 109.377 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.02 -42.04 75.88 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.374 0.509 . . . . 61.0 112.374 -175.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 p -62.43 -43.8 97.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.644 0.239 . . . . 61.0 111.644 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -70.62 -35.57 73.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.661 0.267 . . . . 61.0 110.474 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -62.78 -43.96 97.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 61.0 110.304 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HA ' HG21 ' A' ' 73' ' ' VAL . . . -58.69 -42.94 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.541 -0.754 . . . . 61.0 111.089 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.29 -43.03 82.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.438 -0.347 . . . . 61.0 111.057 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.0 t -66.13 -51.61 57.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.048 -0.524 . . . . 61.0 111.326 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.56 HG21 ' HA ' ' A' ' 70' ' ' ARG . 12.4 p -69.38 -35.84 69.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 61.0 111.431 -175.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.784 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.4 mttt -62.22 -34.34 76.28 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.879 0.371 . . . . 61.0 110.052 176.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.46 95.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.551 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 67.0 t -67.33 -42.52 87.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.966 0.412 . . . . 61.0 110.706 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.09 -39.23 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 61.0 111.607 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.514 ' NE2' ' HD3' ' A' ' 15' ' ' PRO . 83.3 m-70 -83.15 -15.27 51.3 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.782 -0.367 . . . . 61.0 111.523 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.55 24.75 20.3 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.384 -0.912 . . . . 61.0 113.018 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 20' ' ' LEU . 44.2 tp -75.64 -46.38 31.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.118 -0.697 . . . . 61.0 109.118 175.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.449 ' HB ' ' HG2' ' A' ' 54' ' ' GLU . 39.1 pt -132.32 168.98 22.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.916 -1.038 . . . . 61.0 109.09 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.558 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 5.2 t -95.82 157.84 15.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.035 0.445 . . . . 61.0 110.359 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 33.2 tt0 -57.36 -40.98 79.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.915 -0.584 . . . . 61.0 110.723 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -69.66 -22.55 63.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.534 . . . . 61.0 110.993 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 6.2 tp10 -68.61 -48.24 64.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.108 -0.701 . . . . 61.0 109.108 173.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.81 86.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.38 -0.827 . . . . 61.0 111.002 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.537 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 62.0 mt -63.33 -31.05 72.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 61.0 110.827 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.51 -60.3 2.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.096 -0.502 . . . . 61.0 111.225 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm85 -64.3 -30.51 71.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 61.0 111.986 -173.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -104.02 3.17 33.07 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.684 -0.406 . . . . 61.0 110.993 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.0 m 55.32 52.48 11.37 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.316 0.579 . . . . 61.0 110.742 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 73.6 mt -105.98 148.65 27.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.694 -0.685 . . . . 61.0 110.326 -177.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -92.51 160.99 14.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.144 -0.48 . . . . 61.0 109.761 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -62.24 -35.75 79.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.017 0.437 . . . . 61.0 110.444 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.88 -36.13 74.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.689 -0.687 . . . . 61.0 111.323 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -73.51 -52.92 11.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 61.0 110.229 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -61.97 -30.62 71.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.309 -0.405 . . . . 61.0 110.966 -177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.78 87.81 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.953 0.406 . . . . 61.0 110.312 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.92 -45.58 77.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.769 -0.651 . . . . 61.0 110.049 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -52.42 -56.71 13.16 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.818 -0.628 . . . . 61.0 111.315 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.56 ' HA ' HG21 ' A' ' 42' ' ' VAL . 4.6 ptm180 -64.67 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 61.0 111.448 -175.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 m -74.93 -31.47 61.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.663 0.268 . . . . 61.0 111.087 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.26 -45.47 16.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.714 0.292 . . . . 61.0 111.326 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.474 HG21 ' HA ' ' A' ' 39' ' ' ALA . 67.6 t . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.379 -0.373 . . . . 61.0 111.765 -175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 21' ' ' SER . 8.0 mpt_? . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 120.447 0.165 . . . . 61.0 110.627 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.501 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.7 pt20 -144.16 144.62 31.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.885 0.374 . . . . 61.0 111.07 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.44 HG23 ' HB3' ' A' ' 20' ' ' LEU . 18.2 m -133.52 175.35 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.748 -0.66 . . . . 61.0 109.49 172.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.0 m -109.38 144.61 37.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.923 0.392 . . . . 61.0 111.03 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -94.55 156.86 38.03 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 61.0 110.234 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.484 ' HD3' ' NE2' ' A' ' 47' ' ' HIS . 15.3 Cg_exo -69.22 -4.82 14.43 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.754 2.303 . . . . 61.0 110.476 172.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -96.18 -0.97 49.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.695 -1.139 . . . . 61.0 110.192 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.9 2.84 77.63 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 121.11 -0.567 . . . . 61.0 112.771 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.575 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.9 m -92.02 168.24 11.53 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.879 -0.189 . . . . 61.0 110.974 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.4 t -108.22 128.82 63.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 109.861 -0.422 . . . . 61.0 109.861 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.763 ' HB2' HD21 ' A' ' 14' ' ' LEU . 61.9 tp -110.71 106.39 15.59 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.066 -0.516 . . . . 61.0 109.881 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 91.9 p -95.3 166.65 11.79 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.435 -0.579 . . . . 61.0 109.435 177.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.517 ' NH1' HG22 ' A' ' 50' ' ' ILE . 60.5 mtp85 -73.19 -2.39 21.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.062 0.458 . . . . 61.0 110.325 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.95 -16.68 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.531 -0.759 . . . . 61.0 110.471 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB2' HD12 ' A' ' 20' ' ' LEU . 24.8 m-20 -79.86 -11.98 59.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.257 -0.429 . . . . 61.0 110.674 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.4 HD11 HG21 ' A' ' 50' ' ' ILE . 81.1 mt -59.23 130.24 86.93 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 61.0 110.327 177.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.12 156.17 17.04 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.544 2.829 . . . . 61.0 112.648 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 22.0 Cg_endo -61.44 156.41 46.77 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.121 2.548 . . . . 61.0 112.525 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -81.58 1.32 34.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.017 -0.538 . . . . 61.0 110.601 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.9 -0.18 51.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 61.0 110.499 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 87.6 m -85.09 124.0 31.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.993 -0.549 . . . . 61.0 111.79 -175.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' ARG . 2.1 mmt180 -126.16 -22.53 4.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.046 -0.524 . . . . 61.0 110.285 167.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -78.81 69.47 4.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.857 0.837 . . . . 61.0 108.873 169.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -72.71 106.95 4.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.976 -1.011 . . . . 61.0 112.059 -173.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -80.59 166.21 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.514 -0.55 . . . . 61.0 109.514 171.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.21 -38.45 79.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.122 0.264 . . . . 61.0 111.241 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -57.15 -45.71 83.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.92 -0.582 . . . . 61.0 111.488 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -75.82 -38.39 58.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.155 -0.475 . . . . 61.0 110.775 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -62.27 -44.2 97.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 61.0 110.195 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.45 ' HA ' HG21 ' A' ' 73' ' ' VAL . . . -59.01 -44.17 91.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.691 . . . . 61.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 -42.9 80.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.409 -0.359 . . . . 61.0 111.327 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.97 -53.62 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.395 -0.366 . . . . 61.0 111.309 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.417 HG11 ' HB ' ' A' ' 73' ' ' VAL . 13.7 p -67.1 -37.6 79.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 116.37 -0.377 . . . . 61.0 111.236 -175.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.673 ' HD3' HD12 ' A' ' 14' ' ' LEU . 96.9 mttt -65.98 -30.12 70.62 Favored 'General case' 0 CA--C 1.523 -0.09 0 O-C-N 122.309 -0.245 . . . . 61.0 110.484 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.22 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 61.0 110.499 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.441 HG22 HG13 ' A' ' 50' ' ' ILE . 53.5 t -71.64 -39.71 69.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.019 0.438 . . . . 61.0 110.663 178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 42' ' ' VAL . 84.9 mt -70.25 -32.91 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.896 -0.593 . . . . 61.0 111.976 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.484 ' NE2' ' HD3' ' A' ' 15' ' ' PRO . 84.3 m-70 -90.69 -1.15 57.88 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.995 -0.441 . . . . 61.0 111.92 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.07 37.33 22.23 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.55 -0.833 . . . . 61.0 112.62 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.404 HD11 ' HG3' ' A' ' 22' ' ' ARG . 40.7 tp -95.87 -45.54 6.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.484 0.659 . . . . 61.0 109.661 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.517 HG22 ' NH1' ' A' ' 22' ' ' ARG . 34.0 pt -132.35 173.85 14.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.093 -0.958 . . . . 61.0 109.154 175.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 54' ' ' GLU . 6.4 t -105.28 155.15 19.35 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.118 -0.327 . . . . 61.0 110.118 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 19.9 tt0 -54.28 -43.32 70.94 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.038 0.446 . . . . 61.0 110.571 -177.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 33.7 mmt180 -66.68 -27.34 67.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.859 -0.61 . . . . 61.0 111.734 -177.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' H ' HG23 ' A' ' 51' ' ' THR . 26.1 tt0 -73.8 -39.9 63.77 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.387 -0.597 . . . . 61.0 109.387 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.74 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.699 -0.682 . . . . 61.0 110.171 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 65.6 mt -63.46 -37.17 86.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.478 -0.783 . . . . 61.0 110.815 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.59 -56.17 8.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.966 -0.561 . . . . 61.0 111.769 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 7.5 ptp180 -69.77 -22.91 63.31 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.264 0.468 . . . . 61.0 112.264 -172.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.55 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 62.2 m-85 -107.94 -0.31 21.48 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.712 -0.395 . . . . 61.0 112.014 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.9 t 60.6 46.56 9.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.671 0.748 . . . . 61.0 109.888 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.61 HD22 ' HG2' ' A' ' 65' ' ' GLU . 41.6 mt -102.38 160.26 14.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.517 -0.765 . . . . 61.0 110.027 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' HG2' ' A' ' 64' ' ' GLU . 15.2 m -116.88 170.95 8.22 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.645 -0.502 . . . . 61.0 109.645 176.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -54.15 -42.58 69.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.426 0.155 . . . . 61.0 111.348 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 8.5 pt-20 -51.56 -36.39 44.99 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.158 -0.473 . . . . 61.0 111.624 177.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.61 ' HG2' HD22 ' A' ' 61' ' ' LEU . 7.3 tp10 -74.73 -62.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.735 -0.666 . . . . 61.0 110.184 -176.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.518 ' HB2' HD21 ' A' ' 56' ' ' LEU . 42.5 t80 -61.95 -32.54 72.97 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.759 -0.655 . . . . 61.0 111.502 -173.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.53 -36.68 81.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.742 0.306 . . . . 61.0 110.851 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.39 -37.56 60.47 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.137 -0.483 . . . . 61.0 110.323 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -57.02 -48.65 77.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.936 -0.575 . . . . 61.0 110.745 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -74.78 -23.66 58.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.911 -0.315 . . . . 61.0 110.978 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.4 t -64.16 -31.15 72.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.259 0.552 . . . . 61.0 109.656 173.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.85 -53.72 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.992 -0.549 . . . . 61.0 111.389 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 39' ' ' ALA . 58.3 t . . . . . 0 C--N 1.328 -0.345 0 N-CA-C 112.782 0.66 . . . . 61.0 112.782 -171.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.6 0.238 . . . . 61.0 110.696 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.572 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.3 pt20 -151.3 141.2 21.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.427 -0.351 . . . . 61.0 110.309 176.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 m -131.98 155.98 42.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.414 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -96.6 136.57 36.94 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.15 0.5 . . . . 61.0 111.019 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -88.33 159.17 48.04 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 61.0 110.337 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.17 -15.1 31.97 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.474 2.116 . . . . 61.0 109.956 169.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.09 -15.66 60.6 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 114.669 -1.15 . . . . 61.0 109.807 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.4 2.96 63.36 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.931 -0.652 . . . . 61.0 111.738 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.574 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -89.04 169.84 11.16 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.46 0.304 . . . . 61.0 110.832 -178.337 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.0 t -116.17 125.57 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.774 -0.454 . . . . 61.0 109.774 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.694 ' HB2' HD21 ' A' ' 14' ' ' LEU . 53.1 tp -113.63 108.94 17.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.923 -0.58 . . . . 61.0 110.13 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 88.6 p -99.3 169.96 8.99 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.987 -0.375 . . . . 61.0 109.987 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.587 ' NH1' HG22 ' A' ' 50' ' ' ILE . 48.8 mtp85 -71.91 -6.61 43.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 61.0 110.72 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.4 -8.97 43.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 61.0 110.619 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.537 ' HB2' HD12 ' A' ' 20' ' ' LEU . 21.7 m-20 -90.45 -4.06 57.25 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.119 -0.492 . . . . 61.0 110.578 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.522 HD11 HG21 ' A' ' 50' ' ' ILE . 56.9 mt -67.71 134.81 92.4 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.864 -0.607 . . . . 61.0 110.47 177.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -61.97 149.67 89.37 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.087 2.525 . . . . 61.0 111.474 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.505 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 25.2 Cg_endo -61.5 151.67 78.34 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.741 2.294 . . . . 61.0 112.796 -178.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -70.48 -20.61 62.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 61.0 111.127 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.01 4.77 16.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 61.0 110.531 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.505 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 85.8 m -84.17 103.95 13.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.132 -0.486 . . . . 61.0 111.302 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -109.36 169.45 8.69 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.079 -0.712 . . . . 61.0 109.079 169.392 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 31' ' ' ARG . 46.1 ttt180 76.79 -53.67 0.57 Allowed 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.91 0.756 . . . . 61.0 109.544 -173.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 m95 70.83 159.56 0.2 Allowed 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.285 -0.87 . . . . 61.0 112.564 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.02 162.16 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.614 -1.176 . . . . 61.0 108.728 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -41.04 79.35 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.465 0.543 . . . . 61.0 112.465 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.9 p -58.55 -47.61 83.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.344 . . . . 61.0 111.729 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' HG23 ' A' ' 41' ' ' VAL . 61.2 mtt180 -69.02 -39.39 79.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 61.0 110.878 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.43 -41.75 98.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.251 -0.432 . . . . 61.0 110.69 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.53 93.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 61.0 110.974 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.45 90.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.448 -0.342 . . . . 61.0 110.904 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 37' ' ' ARG . 86.8 t -63.5 -48.12 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 61.0 111.345 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 46' ' ' ILE . 14.9 p -65.73 -41.66 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.848 -0.341 . . . . 61.0 111.075 -177.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.692 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.3 mttt -66.39 -30.13 70.44 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 122.315 -0.241 . . . . 61.0 110.684 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.15 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 61.0 110.469 177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.5 HG22 HG13 ' A' ' 50' ' ' ILE . 56.5 t -65.57 -45.59 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 61.0 110.821 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 42' ' ' VAL . 96.8 mt -56.06 -40.97 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.957 -0.565 . . . . 61.0 111.953 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -88.76 -5.12 58.3 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.733 -0.387 . . . . 61.0 111.818 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.66 17.37 56.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.674 -0.774 . . . . 61.0 112.954 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.494 HD22 ' HG ' ' A' ' 20' ' ' LEU . 31.2 tp -69.52 -44.89 70.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.472 0.653 . . . . 61.0 109.427 177.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.587 HG22 ' NH1' ' A' ' 22' ' ' ARG . 36.0 pt -131.37 172.22 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.091 -0.959 . . . . 61.0 108.959 174.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 54' ' ' GLU . 4.6 t -100.16 149.56 23.4 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.059 0.457 . . . . 61.0 110.262 175.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.655 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 19.9 tt0 -57.24 -40.03 76.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.567 -0.742 . . . . 61.0 110.47 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.61 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 1.2 tmt_? -66.92 -30.56 70.73 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.701 -0.481 . . . . 61.0 109.701 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 31.6 tt0 -66.66 -46.57 75.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.579 -0.526 . . . . 61.0 109.579 178.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.4 86.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.115 -0.493 . . . . 61.0 110.769 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 49.7 mt -68.85 -31.93 71.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.682 -0.69 . . . . 61.0 110.776 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . 16.7 t70 -78.93 -55.34 5.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.981 -0.554 . . . . 61.0 111.232 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.1 ptm180 -67.87 -36.92 81.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.698 -0.683 . . . . 61.0 111.776 -171.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -97.55 -1.11 44.67 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.966 -0.294 . . . . 61.0 111.393 -177.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 t 57.4 74.29 0.42 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.528 0.68 . . . . 61.0 109.844 -176.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 82.5 mt -127.14 -161.89 1.11 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.536 -0.756 . . . . 61.0 110.067 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 m -148.59 157.23 43.32 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.222 -0.659 . . . . 61.0 109.222 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.88 -40.62 84.95 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 123.194 0.309 . . . . 61.0 110.94 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.92 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 61.0 110.979 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -67.92 -50.0 58.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.771 -0.65 . . . . 61.0 109.81 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -62.31 -33.97 75.7 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.091 -0.504 . . . . 61.0 110.576 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.29 82.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 61.0 110.329 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.64 -42.24 87.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.992 -0.549 . . . . 61.0 110.298 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -55.82 -51.64 66.78 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.009 -0.542 . . . . 61.0 111.224 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -71.79 -22.34 61.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.866 0.321 . . . . 61.0 111.866 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.8 m -80.18 -23.52 40.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.036 0.446 . . . . 61.0 110.587 175.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.32 -23.31 22.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.138 -0.483 . . . . 61.0 111.241 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--N 1.329 -0.319 0 C-N-CA 121.063 -0.255 . . . . 61.0 111.648 -179.187 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.801 -0.444 . . . . 61.0 109.801 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.578 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.4 pt20 -155.92 141.71 17.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 61.0 110.26 -177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.95 156.07 31.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.229 -0.441 . . . . 61.0 110.551 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.1 m -93.8 135.33 35.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.232 -0.44 . . . . 61.0 110.916 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.678 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -89.63 156.85 47.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.187 -0.46 . . . . 61.0 110.235 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' NE2' ' A' ' 47' ' ' HIS . 16.0 Cg_exo -68.51 -14.38 39.62 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.525 2.15 . . . . 61.0 110.089 171.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.66 -14.85 60.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.599 -1.182 . . . . 61.0 109.794 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.49 3.98 64.4 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.882 -0.599 . . . . 61.0 111.634 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.488 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.3 m -89.26 169.28 11.58 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.485 -0.358 . . . . 61.0 111.124 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.72 126.5 72.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.853 -0.425 . . . . 61.0 109.853 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.652 ' HB2' HD21 ' A' ' 14' ' ' LEU . 38.7 tp -115.41 104.98 12.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.145 -0.48 . . . . 61.0 110.055 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.578 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.5 p -94.21 169.94 9.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.256 -0.429 . . . . 61.0 110.495 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -66.46 -13.06 60.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.129 -0.487 . . . . 61.0 111.078 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.5 -7.78 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 61.0 110.546 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.492 ' HB2' HD12 ' A' ' 20' ' ' LEU . 24.3 m-20 -86.13 -13.62 46.58 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.931 -0.396 . . . . 61.0 109.931 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt -56.65 129.67 76.74 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.725 -0.67 . . . . 61.0 109.829 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.24 148.74 68.58 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 123.105 2.537 . . . . 61.0 112.214 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.18 155.14 71.92 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.795 2.33 . . . . 61.0 112.449 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -68.6 -17.18 64.07 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.934 -0.575 . . . . 61.0 110.818 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.73 -23.29 65.24 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.568 -0.742 . . . . 61.0 110.532 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.8 m -66.56 113.71 4.96 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.508 0.671 . . . . 61.0 110.559 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.53 -41.52 2.82 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.303 -0.862 . . . . 61.0 108.976 178.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -77.0 82.16 3.53 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.142 -1.058 . . . . 61.0 108.142 168.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -66.42 119.02 10.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.09 -0.959 . . . . 61.0 111.75 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.45 162.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 61.0 109.444 173.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.84 -42.15 71.6 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.303 0.377 . . . . 61.0 111.678 -176.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.6 m -60.09 -40.77 90.74 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.835 0.309 . . . . 61.0 111.835 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -79.07 -32.96 44.96 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.602 -0.272 . . . . 61.0 110.731 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.45 -43.2 91.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.03 0.443 . . . . 61.0 110.417 173.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -61.46 -39.35 90.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.693 -0.685 . . . . 61.0 111.222 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.4 95.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.821 0.343 . . . . 61.0 110.796 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.0 t -66.67 -48.43 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.274 -0.421 . . . . 61.0 111.355 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.526 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.7 p -66.26 -40.21 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.621 -0.263 . . . . 61.0 111.395 -177.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.678 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.1 mttt -65.54 -35.35 80.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.707 0.289 . . . . 61.0 110.461 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.517 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -59.73 -45.92 90.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.119 0.485 . . . . 61.0 110.368 177.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.641 HG11 ' HG3' ' A' ' 52' ' ' GLU . 82.0 t -66.99 -45.04 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.637 -0.711 . . . . 61.0 111.506 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.49 -37.64 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.181 -0.463 . . . . 61.0 111.359 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.415 ' NE2' ' HD3' ' A' ' 15' ' ' PRO . 78.2 m-70 -81.93 -18.13 44.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.801 -0.359 . . . . 61.0 111.355 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.13 2.51 45.09 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.381 -0.914 . . . . 61.0 113.225 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.495 HD22 ' HG ' ' A' ' 20' ' ' LEU . 37.7 tp -55.33 -52.41 63.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.348 0.594 . . . . 61.0 109.6 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 pt -129.07 -175.92 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.724 -0.843 . . . . 61.0 108.724 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.418 HG23 ' H ' ' A' ' 54' ' ' GLU . 8.9 t -123.23 167.04 14.25 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.884 -0.326 . . . . 61.0 110.276 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.641 ' HG3' HG11 ' A' ' 45' ' ' VAL . 6.4 mt-10 -55.54 -48.05 75.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.47 . . . . 61.0 111.621 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -29.56 70.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.828 -0.624 . . . . 61.0 111.02 -177.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 13.1 tp10 -71.59 -46.88 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.742 -0.663 . . . . 61.0 110.219 178.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.4 65.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.916 -0.584 . . . . 61.0 111.105 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 68.1 mt -61.07 -36.41 79.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.594 . . . . 61.0 110.89 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.67 -55.8 9.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.254 -0.43 . . . . 61.0 111.385 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.1 ptp180 -65.88 -37.94 87.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 61.0 111.783 -174.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -92.89 0.08 57.34 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.991 0.367 . . . . 61.0 111.991 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.3 m 58.91 39.23 24.01 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.24 0.543 . . . . 61.0 110.691 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 90.0 mt -93.49 167.86 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.713 -0.676 . . . . 61.0 110.635 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.482 ' HB3' ' OE1' ' A' ' 64' ' ' GLU . 19.0 m -106.25 153.3 22.35 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.418 -0.586 . . . . 61.0 109.418 175.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -63.56 -35.54 80.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.943 0.401 . . . . 61.0 110.799 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.482 ' OE1' ' HB3' ' A' ' 62' ' ' SER . 1.7 pm0 -71.19 -24.31 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 61.0 110.94 177.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 62' ' ' SER . 36.0 tp10 -70.36 -50.39 39.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.223 -0.658 . . . . 61.0 109.223 177.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 42' ' ' VAL . 50.9 t80 -62.86 -29.71 70.95 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.833 -0.622 . . . . 61.0 110.354 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.25 87.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.514 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.17 -42.98 83.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.277 -0.42 . . . . 61.0 110.104 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -54.26 -55.04 32.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.965 -0.561 . . . . 61.0 111.133 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.526 ' HA ' HG21 ' A' ' 42' ' ' VAL . 7.4 ptm180 -69.89 -29.05 66.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 61.0 111.168 -175.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.6 t -75.69 -28.79 58.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.071 0.462 . . . . 61.0 110.317 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.2 -39.2 16.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.474 -0.33 . . . . 61.0 111.492 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.636 0.255 . . . . 61.0 111.401 -176.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.676 0.274 . . . . 61.0 110.274 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.604 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.8 pt20 -154.26 140.46 18.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.946 -0.57 . . . . 61.0 110.717 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.5 m -123.44 159.54 27.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.993 -0.548 . . . . 61.0 110.823 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.2 m -100.65 129.14 46.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.92 -0.582 . . . . 61.0 110.685 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.655 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -83.9 153.89 64.07 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.708 -0.479 . . . . 61.0 109.708 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.45 -14.88 43.96 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.03 1.82 . . . . 61.0 110.048 173.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.72 -16.14 61.2 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.271 -1.331 . . . . 61.0 110.34 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.75 3.37 66.32 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.013 -0.613 . . . . 61.0 111.609 -176.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -86.81 166.44 15.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.312 -0.444 . . . . 61.0 110.641 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.3 t -113.48 129.48 69.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.918 -0.401 . . . . 61.0 109.918 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.623 ' HB2' HD21 ' A' ' 14' ' ' LEU . 50.8 tp -122.49 106.81 11.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.154 -0.475 . . . . 61.0 110.127 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.604 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 86.1 p -101.12 173.8 6.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.443 -0.344 . . . . 61.0 110.145 178.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -71.47 -9.6 58.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.838 0.352 . . . . 61.0 110.818 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.17 -6.99 37.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.099 -0.501 . . . . 61.0 110.608 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.477 ' HB2' HD12 ' A' ' 20' ' ' LEU . 13.4 m-20 -90.68 -18.49 24.97 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.106 -0.497 . . . . 61.0 110.904 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 50' ' ' ILE . 67.6 mt -52.93 139.75 42.27 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-N 116.125 -0.488 . . . . 61.0 111.073 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.31 137.99 78.56 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.792 2.328 . . . . 61.0 111.114 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.89 150.41 78.05 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.644 2.229 . . . . 61.0 112.745 -175.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.4 mt -65.95 -16.41 63.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.526 0.679 . . . . 61.0 109.872 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.43 -28.26 69.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.214 -0.903 . . . . 61.0 111.041 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.511 HG23 HH11 ' A' ' 37' ' ' ARG . 54.4 m -64.54 119.37 10.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.361 0.6 . . . . 61.0 112.103 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 7.9 tpt180 -115.21 -36.04 4.49 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.321 -0.854 . . . . 61.0 108.754 172.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -71.98 82.43 0.94 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.629 -0.714 . . . . 61.0 109.558 172.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -73.94 93.22 2.18 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.629 -0.714 . . . . 61.0 111.977 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.5 m -82.65 170.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.656 -0.702 . . . . 61.0 110.088 175.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.86 -53.42 56.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.636 0.606 . . . . 61.0 112.636 -173.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.8 m -64.11 -32.56 74.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.188 0.44 . . . . 61.0 112.188 -174.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.511 HH11 HG23 ' A' ' 30' ' ' THR . 98.3 mtt180 -70.71 -39.82 73.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.849 0.357 . . . . 61.0 110.325 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.11 -42.02 99.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.95 -0.568 . . . . 61.0 110.253 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.482 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -61.54 -39.02 89.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.523 -0.762 . . . . 61.0 111.305 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.39 98.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.83 0.348 . . . . 61.0 110.763 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 37' ' ' ARG . 59.5 t -64.76 -47.64 87.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.216 -0.447 . . . . 61.0 111.238 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 39' ' ' ALA . 13.5 p -68.22 -38.75 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.43 -0.35 . . . . 61.0 111.126 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.2 mttt -63.46 -30.96 72.0 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.768 0.318 . . . . 61.0 110.372 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.484 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -64.04 -44.69 91.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.028 -0.533 . . . . 61.0 110.911 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.527 HG22 HG13 ' A' ' 50' ' ' ILE . 62.6 t -72.96 -38.14 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.02 0.438 . . . . 61.0 110.95 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.0 -39.0 80.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.984 -0.553 . . . . 61.0 111.427 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -85.9 -18.65 32.13 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.829 -0.348 . . . . 61.0 111.485 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 25.68 13.42 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.192 -1.004 . . . . 61.0 112.603 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.505 HD22 ' HG ' ' A' ' 20' ' ' LEU . 40.1 tp -73.98 -50.45 19.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.065 0.936 . . . . 61.0 108.892 175.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.527 HG13 HG22 ' A' ' 45' ' ' VAL . 37.5 pt -124.88 163.82 24.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.395 -1.275 . . . . 61.0 108.386 173.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.495 HG23 ' H ' ' A' ' 54' ' ' GLU . 10.8 t -92.05 159.85 15.51 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 120.108 -0.637 . . . . 61.0 109.686 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.507 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 31.4 tt0 -57.11 -45.59 83.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.893 -0.594 . . . . 61.0 111.062 -172.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HG2' HD12 ' A' ' 56' ' ' LEU . 1.1 mtp180 -71.03 -26.62 63.18 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 111.846 0.313 . . . . 61.0 111.846 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' H ' HG23 ' A' ' 51' ' ' THR . 28.0 tt0 -62.58 -36.79 83.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.434 -0.58 . . . . 61.0 109.434 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.13 -46.66 76.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.753 -0.658 . . . . 61.0 110.484 174.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.584 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 61.1 mt -61.82 -53.98 48.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.804 -0.635 . . . . 61.0 111.149 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -63.61 -31.25 72.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.782 -0.645 . . . . 61.0 112.402 -172.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.4 ptp180 -86.21 -23.02 26.62 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.3 -0.56 . . . . 61.0 111.967 -178.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.46 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 56.1 m-85 -110.2 4.23 20.8 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.827 -0.349 . . . . 61.0 111.432 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.7 m 63.06 25.59 15.04 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.222 0.534 . . . . 61.0 110.728 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 88.3 mt -81.45 154.48 26.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.761 -0.654 . . . . 61.0 110.868 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.459 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 14.8 m -92.61 154.26 18.5 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.914 -0.585 . . . . 61.0 109.513 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.27 -42.12 81.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.156 -0.475 . . . . 61.0 110.902 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.7 pt-20 -68.13 -30.46 69.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.704 -0.68 . . . . 61.0 110.952 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.459 ' HB3' ' O ' ' A' ' 62' ' ' SER . 7.4 tp10 -60.73 -58.9 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.226 0.536 . . . . 61.0 109.588 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.591 ' HE2' HH11 ' A' ' 70' ' ' ARG . 55.6 t80 -63.64 -31.44 72.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.719 -0.673 . . . . 61.0 110.782 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.25 -44.03 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 61.0 110.154 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 87.6 mt -66.74 -40.07 88.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 61.0 110.481 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -53.52 -51.51 62.61 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.304 -0.407 . . . . 61.0 111.039 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.591 HH11 ' HE2' ' A' ' 66' ' ' PHE . 12.1 ptm180 -77.66 -21.63 51.86 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.117 -0.233 . . . . 61.0 111.611 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.7 m -77.2 -15.81 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.283 0.563 . . . . 61.0 110.068 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.44 -63.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.59 -0.732 . . . . 61.0 110.818 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.342 -0.39 . . . . 61.0 111.962 -173.744 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.747 0.308 . . . . 61.0 110.716 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 6.7 pt20 -149.86 144.95 26.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.997 0.427 . . . . 61.0 111.005 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 m -128.65 157.17 41.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.728 -0.669 . . . . 61.0 110.403 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -90.12 136.76 32.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.825 0.345 . . . . 61.0 111.063 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.734 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.0 mm? -90.97 158.55 41.61 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.46 -0.337 . . . . 61.0 110.095 176.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -74.39 -4.26 15.14 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.383 2.056 . . . . 61.0 111.516 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -102.7 4.03 37.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.173 -0.921 . . . . 61.0 110.364 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.5 -9.76 69.12 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 121.028 -0.606 . . . . 61.0 113.762 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 19' ' ' VAL . 11.2 m -79.65 167.93 20.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.668 0.271 . . . . 61.0 111.095 -178.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.453 ' N ' HG22 ' A' ' 18' ' ' THR . 78.8 t -111.53 132.63 59.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.918 -0.401 . . . . 61.0 109.918 173.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.652 ' HB2' HD21 ' A' ' 14' ' ' LEU . 48.9 tp -113.46 106.67 14.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.264 -0.425 . . . . 61.0 110.123 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 71.3 p -94.78 163.96 13.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.05 -0.523 . . . . 61.0 110.365 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG3' HD11 ' A' ' 49' ' ' LEU . 65.6 mtt180 -70.4 -11.52 60.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.56 -0.291 . . . . 61.0 111.425 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.73 -7.37 43.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.968 0.413 . . . . 61.0 110.386 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' HB3' HD12 ' A' ' 20' ' ' LEU . 34.9 t70 -91.97 -12.09 34.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.024 -0.535 . . . . 61.0 110.293 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.1 139.53 91.08 Favored Pre-proline 0 C--O 1.233 0.212 0 CA-C-N 115.818 -0.628 . . . . 61.0 110.546 174.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.44 138.51 76.75 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.878 2.385 . . . . 61.0 112.274 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -66.05 165.73 23.11 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.495 2.796 . . . . 61.0 113.038 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.1 mt -79.55 -4.57 52.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.688 -0.687 . . . . 61.0 111.773 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -24.34 61.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.406 0.622 . . . . 61.0 109.503 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.507 HG21 ' CD ' ' A' ' 37' ' ' ARG . 69.6 m -79.48 116.13 19.52 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.732 -1.122 . . . . 61.0 112.1 -172.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -116.35 -28.46 6.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.577 -0.738 . . . . 61.0 109.972 172.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -75.24 78.06 2.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.52 0.676 . . . . 61.0 109.326 171.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.489 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 97.5 m95 -71.14 113.15 7.88 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.208 -0.906 . . . . 61.0 111.51 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 33.4 m -103.91 166.14 3.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.428 -0.806 . . . . 61.0 109.595 175.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.42 -41.36 65.95 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.476 0.547 . . . . 61.0 112.476 -173.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.0 m -56.73 -49.64 74.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.218 0.532 . . . . 61.0 111.191 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.507 ' CD ' HG21 ' A' ' 30' ' ' THR . 90.5 mtt-85 -73.8 -35.62 64.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 61.0 110.816 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' ' 33' ' ' TRP . 98.9 mttt -62.69 -43.26 99.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 61.0 110.465 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.42 88.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 61.0 111.243 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.36 90.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.379 -0.373 . . . . 61.0 111.218 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.5 t -67.34 -51.9 47.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.449 -0.341 . . . . 61.0 111.354 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.3 p -66.49 -40.14 85.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.36 . . . . 61.0 111.379 -175.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.3 mttt -66.42 -28.05 68.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.565 0.222 . . . . 61.0 110.691 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.1 82.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.894 0.378 . . . . 61.0 110.591 177.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.89 -42.17 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.141 0.496 . . . . 61.0 110.765 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.67 -27.15 42.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.723 -0.672 . . . . 61.0 111.84 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -102.27 0.28 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.245 0.461 . . . . 61.0 112.245 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.45 21.06 65.23 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.309 -0.948 . . . . 61.0 112.653 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.489 HD11 ' HG3' ' A' ' 22' ' ' ARG . 39.2 tp -74.74 -47.06 33.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.023 -0.732 . . . . 61.0 109.023 176.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.1 pt -132.12 168.93 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.071 -0.968 . . . . 61.0 108.669 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 54' ' ' GLU . 2.4 t -95.67 156.88 16.14 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.056 0.455 . . . . 61.0 110.586 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.483 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 21.9 tt0 -60.9 -39.24 88.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.822 -0.626 . . . . 61.0 110.358 -177.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -58.54 -42.57 88.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.698 -0.683 . . . . 61.0 110.504 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.518 ' H ' HG23 ' A' ' 51' ' ' THR . 32.1 tp10 -57.19 -47.83 80.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.462 -0.79 . . . . 61.0 109.907 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.16 87.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.251 -0.431 . . . . 61.0 111.148 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.565 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 34.4 mt -65.16 -34.07 77.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.231 -0.44 . . . . 61.0 111.015 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -75.79 -59.6 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.6 -0.273 . . . . 61.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.5 ptm180 -64.06 -34.41 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.125 0.417 . . . . 61.0 112.125 -171.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.436 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 38.6 m-85 -102.07 2.12 37.19 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.785 -0.366 . . . . 61.0 111.297 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.1 m 55.3 61.72 2.78 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.345 0.593 . . . . 61.0 110.46 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.565 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 48.4 mt -112.04 148.02 34.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.452 -0.794 . . . . 61.0 110.255 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.3 m -99.07 169.64 9.27 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.053 -0.521 . . . . 61.0 110.102 175.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -58.0 -44.48 87.23 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.465 -0.334 . . . . 61.0 111.366 -175.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.548 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 2.0 pm0 -66.7 -32.73 74.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.612 -0.267 . . . . 61.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.551 ' HG2' HD22 ' A' ' 61' ' ' LEU . 6.9 tp10 -59.34 -60.6 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.032 0.444 . . . . 61.0 109.849 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -61.88 -32.04 72.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.754 -0.657 . . . . 61.0 110.332 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' ' 70' ' ' ARG . . . -62.54 -41.79 99.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 61.0 110.674 176.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 82.7 mt -64.88 -46.35 82.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.475 -0.33 . . . . 61.0 110.472 177.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.6 m0 -56.41 -49.98 72.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 61.0 110.861 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.491 ' HA ' HG21 ' A' ' 42' ' ' VAL . 11.1 ptm180 -70.28 -22.87 62.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 61.0 111.108 -177.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 56.8 m -84.06 -29.22 27.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.804 0.335 . . . . 61.0 110.955 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.58 -32.23 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.852 0.358 . . . . 61.0 111.386 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.401 -0.363 . . . . 61.0 111.505 -178.301 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 12.0 ptt180 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.315 0.102 . . . . 61.0 110.852 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.563 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.5 pt20 -153.98 144.07 22.02 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.368 0.604 . . . . 61.0 112.008 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 m -117.47 157.68 18.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.408 -0.815 . . . . 61.0 109.993 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.7 m -99.34 140.44 33.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.023 0.439 . . . . 61.0 110.53 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -93.39 148.33 35.36 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.624 -0.51 . . . . 61.0 109.624 177.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.17 -17.51 59.98 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.452 2.102 . . . . 61.0 110.587 174.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.1 -11.37 59.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.887 -1.051 . . . . 61.0 110.554 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.13 -1.42 67.5 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 116.002 -0.544 . . . . 61.0 111.872 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.0 m -80.76 163.13 23.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.617 -0.291 . . . . 61.0 110.228 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -119.48 123.35 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.965 -0.383 . . . . 61.0 109.965 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 60.4 tp -113.17 109.64 19.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.207 -0.451 . . . . 61.0 110.08 -178.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 36.2 p -108.51 165.62 11.39 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.341 -0.39 . . . . 61.0 110.996 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HG3' HD11 ' A' ' 49' ' ' LEU . 33.9 mtp180 -62.79 -19.86 64.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.58 . . . . 61.0 111.224 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.7 -2.7 31.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 61.0 110.897 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -97.05 -15.63 20.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 61.0 110.123 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 mt -50.76 140.39 19.81 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 115.951 -0.568 . . . . 61.0 110.706 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.36 147.41 77.57 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.939 2.426 . . . . 61.0 112.192 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.36 153.17 79.47 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.478 2.119 . . . . 61.0 112.606 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 mt -69.79 -16.51 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.639 -0.709 . . . . 61.0 110.19 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.93 -22.92 65.93 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.186 -0.915 . . . . 61.0 110.808 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.3 m -78.61 106.82 10.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.133 -0.485 . . . . 61.0 111.398 -177.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 15.9 tpt180 -105.08 -34.92 7.8 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.666 -0.697 . . . . 61.0 109.773 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 32' ' ' ARG . 33.2 ptt180 -78.22 76.94 4.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 122.354 1.073 . . . . 61.0 109.07 171.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -65.4 121.39 14.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.485 -1.234 . . . . 61.0 112.327 -175.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.0 m -91.0 160.86 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.767 -0.651 . . . . 61.0 109.429 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.79 -40.46 69.47 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.824 0.305 . . . . 61.0 111.824 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m -60.58 -41.18 94.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.361 . . . . 61.0 111.557 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -82.05 -30.69 31.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 61.0 111.22 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -64.03 -42.51 97.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.957 0.408 . . . . 61.0 109.912 172.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.39 83.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.573 -0.739 . . . . 61.0 110.998 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.22 80.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.449 -0.342 . . . . 61.0 111.023 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.62 -47.9 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.442 -0.344 . . . . 61.0 111.307 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.9 p -67.09 -40.12 84.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.503 -0.317 . . . . 61.0 111.306 -176.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.0 mttt -69.95 -24.57 63.37 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.079 -0.249 . . . . 61.0 110.728 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -63.76 -49.61 72.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 61.0 110.323 177.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 62.8 t -65.64 -43.23 93.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.182 178.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.02 -41.97 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.402 -0.817 . . . . 61.0 112.349 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -86.63 -0.75 56.81 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.88 0.326 . . . . 61.0 111.88 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.65 15.85 65.02 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.504 -0.855 . . . . 61.0 112.874 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.418 HD22 ' HG ' ' A' ' 20' ' ' LEU . 48.5 tp -68.73 -53.11 23.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.423 0.63 . . . . 61.0 109.489 177.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 34.4 pt -129.35 169.61 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.327 -0.851 . . . . 61.0 109.39 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 54' ' ' GLU . 10.2 t -95.5 159.53 14.95 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 110.126 -0.324 . . . . 61.0 110.126 175.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 29.6 tt0 -63.91 -42.7 97.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 61.0 110.647 -174.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -53.49 -40.73 65.58 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.823 -0.626 . . . . 61.0 110.336 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.56 ' H ' HG23 ' A' ' 51' ' ' THR . 16.9 tp10 -61.2 -51.85 67.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.308 -0.86 . . . . 61.0 110.294 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.14 -46.32 82.81 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.151 -0.477 . . . . 61.0 111.358 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 66' ' ' PHE . 47.0 mt -65.64 -44.83 85.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.682 -0.69 . . . . 61.0 111.232 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.63 -48.29 67.17 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.314 0.487 . . . . 61.0 112.314 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm180 -64.79 -39.88 94.31 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.808 0.299 . . . . 61.0 111.808 -175.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -96.26 1.72 52.32 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.102 -0.239 . . . . 61.0 111.239 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.7 m 60.76 32.1 20.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.622 0.725 . . . . 61.0 110.661 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.568 HD22 ' HG2' ' A' ' 65' ' ' GLU . 84.5 mt -87.88 153.13 21.56 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.29 -0.868 . . . . 61.0 109.526 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 m -95.74 159.64 14.88 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.611 -0.515 . . . . 61.0 109.611 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -59.96 -34.11 72.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.032 0.444 . . . . 61.0 110.641 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.55 -39.37 76.52 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.576 -0.738 . . . . 61.0 111.093 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.568 ' HG2' HD22 ' A' ' 61' ' ' LEU . 15.8 tp10 -65.12 -55.9 16.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.821 -0.627 . . . . 61.0 110.114 -178.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.533 ' HB2' HD21 ' A' ' 56' ' ' LEU . 47.0 t80 -59.77 -31.58 69.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.605 -0.725 . . . . 61.0 110.883 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.2 94.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.03 -0.532 . . . . 61.0 110.442 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.39 -42.56 87.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.952 -0.567 . . . . 61.0 110.485 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -56.78 -54.42 46.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 61.0 111.339 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.479 ' HA ' HG21 ' A' ' 42' ' ' VAL . 13.2 ptm180 -64.81 -26.95 68.56 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.072 -0.251 . . . . 61.0 111.164 -177.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.5 m -75.28 -35.66 61.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.894 0.378 . . . . 61.0 110.642 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.92 -22.98 29.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 61.0 111.898 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.2 t . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 112.031 0.382 . . . . 61.0 112.031 -177.136 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 10' ' ' ARG . 55.0 mtt180 . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.428 0.156 . . . . 61.0 111.379 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 18.0 pt20 -152.01 144.24 23.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.102 0.477 . . . . 61.0 111.658 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.5 m -128.1 -177.75 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.447 -0.797 . . . . 61.0 109.973 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 m -119.0 146.99 44.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.726 0.298 . . . . 61.0 110.638 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.82 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.0 mm? -94.62 159.09 34.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 110.129 -0.323 . . . . 61.0 110.129 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.08 -13.45 33.89 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.296 1.997 . . . . 61.0 110.041 171.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.409 ' OD1' ' HB3' ' A' ' 14' ' ' LEU . 2.5 m-20 -75.21 -15.44 60.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.508 -1.223 . . . . 61.0 110.092 176.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.49 2.56 63.45 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.632 -0.713 . . . . 61.0 111.723 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.688 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.64 171.21 10.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.703 0.287 . . . . 61.0 111.028 -177.817 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.4 t -109.2 137.28 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.421 -0.354 . . . . 61.0 110.126 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.82 ' HB2' HD21 ' A' ' 14' ' ' LEU . 57.1 tp -126.33 101.23 6.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.998 0.427 . . . . 61.0 110.51 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 1.2 m -91.96 166.89 12.47 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.408 -0.59 . . . . 61.0 109.408 176.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.622 ' NH1' HG22 ' A' ' 50' ' ' ILE . 69.9 mtp85 -69.03 -21.66 64.1 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.77 -0.456 . . . . 61.0 109.77 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.48 -7.66 59.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.832 -0.622 . . . . 61.0 111.103 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.05 -8.7 55.17 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.392 -0.367 . . . . 61.0 110.438 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 68.0 mt -64.75 146.9 98.39 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.927 -0.579 . . . . 61.0 110.647 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HB3' ' HD3' ' A' ' 37' ' ' ARG . 37.0 Cg_endo -64.82 148.19 89.87 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.766 2.311 . . . . 61.0 112.257 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.478 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 9.7 Cg_endo -53.98 143.7 60.05 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.87 2.38 . . . . 61.0 112.508 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.52 -24.77 67.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.806 -0.634 . . . . 61.0 111.588 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.93 -6.56 57.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.128 -0.487 . . . . 61.0 111.23 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.478 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 99.9 m -68.24 102.64 1.4 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.335 0.588 . . . . 61.0 110.934 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 11.6 tpt180 -103.63 -26.25 12.86 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.824 -1.176 . . . . 61.0 107.824 172.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -77.2 74.53 3.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.521 -1.218 . . . . 61.0 108.979 172.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -72.52 124.99 26.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.257 -0.883 . . . . 61.0 112.192 -175.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -105.5 158.43 6.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.241 -0.89 . . . . 61.0 109.358 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.05 -40.18 63.8 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.063 0.394 . . . . 61.0 112.063 -176.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -63.85 -37.81 88.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.472 -0.331 . . . . 61.0 111.382 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HD3' ' HB3' ' A' ' 26' ' ' PRO . 73.1 mtt180 -80.59 -28.98 36.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.733 0.302 . . . . 61.0 110.585 -178.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -64.0 -46.57 83.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.215 -0.448 . . . . 61.0 109.874 171.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.28 80.19 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.417 -0.811 . . . . 61.0 110.911 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.57 93.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.3 -0.409 . . . . 61.0 111.161 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.79 -50.26 50.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.442 -0.344 . . . . 61.0 111.265 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.564 HG21 ' HA ' ' A' ' 70' ' ' ARG . 11.8 p -66.75 -40.92 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 61.0 111.263 -175.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.684 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.9 mttt -67.94 -29.24 68.25 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.348 -0.241 . . . . 61.0 110.348 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.42 92.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.494 -0.321 . . . . 61.0 110.864 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.497 HG22 HG13 ' A' ' 50' ' ' ILE . 44.1 t -70.35 -42.19 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.002 0.429 . . . . 61.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 42' ' ' VAL . 57.5 mt -64.04 -29.33 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.201 -0.454 . . . . 61.0 111.424 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -90.6 -9.2 47.9 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.228 -0.295 . . . . 61.0 111.382 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.76 27.7 45.49 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.456 -0.878 . . . . 61.0 112.223 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD22 ' HG ' ' A' ' 20' ' ' LEU . 36.4 tp -78.71 -44.55 23.29 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.965 -0.754 . . . . 61.0 108.965 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.622 HG22 ' NH1' ' A' ' 22' ' ' ARG . 29.4 pt -130.7 164.19 34.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.876 -1.056 . . . . 61.0 108.632 174.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 54' ' ' GLU . 3.1 t -91.5 152.07 20.49 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.143 0.497 . . . . 61.0 110.204 176.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 10.8 tt0 -61.93 -35.94 79.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.654 -0.703 . . . . 61.0 110.324 -175.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -33.57 76.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.522 -0.763 . . . . 61.0 110.005 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 52.0 tt0 -69.35 -43.72 73.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.932 -0.576 . . . . 61.0 110.285 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.74 94.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.964 0.411 . . . . 61.0 110.813 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 44.6 mt -66.13 -33.0 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.756 -0.656 . . . . 61.0 110.96 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -78.8 -53.64 6.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.296 -0.411 . . . . 61.0 111.218 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.1 ptm180 -67.61 -30.23 69.76 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.176 -0.465 . . . . 61.0 111.997 -174.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.478 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 52.9 m-85 -102.96 0.93 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.798 -0.361 . . . . 61.0 111.379 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 m 56.41 58.48 4.2 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.633 0.73 . . . . 61.0 110.52 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.55 HD22 ' HG2' ' A' ' 65' ' ' GLU . 93.8 mt -117.29 -175.69 2.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.16 -0.927 . . . . 61.0 110.084 -178.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -135.69 163.03 31.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.816 -0.629 . . . . 61.0 109.741 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -51.48 -47.73 63.1 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.324 0.39 . . . . 61.0 111.128 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 16.4 pt-20 -53.8 -37.49 63.57 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.511 0.507 . . . . 61.0 111.452 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.55 ' HG2' HD22 ' A' ' 61' ' ' LEU . 10.9 tp10 -70.67 -58.94 3.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.095 -0.502 . . . . 61.0 110.046 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -61.91 -33.37 74.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.955 -0.566 . . . . 61.0 111.09 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HA ' ' HD2' ' A' ' 70' ' ' ARG . . . -61.71 -35.52 78.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 61.0 110.876 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 95.3 mt -72.74 -42.9 63.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.395 -0.366 . . . . 61.0 110.048 176.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -55.5 -50.47 69.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 61.0 110.812 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.564 ' HA ' HG21 ' A' ' 42' ' ' VAL . 6.9 ptm180 -66.35 -31.23 71.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 61.0 110.76 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.9 t -75.6 -30.39 59.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.847 0.356 . . . . 61.0 110.752 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.18 -42.96 11.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.439 -0.346 . . . . 61.0 111.565 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.5 t . . . . . 0 C--N 1.329 -0.304 0 N-CA-C 111.889 0.329 . . . . 61.0 111.889 -174.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.946 0.403 . . . . 61.0 110.105 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.5 pt20 -154.12 136.14 14.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.796 -0.638 . . . . 61.0 110.756 175.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 m -118.4 161.71 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.527 -0.761 . . . . 61.0 110.724 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -95.9 140.54 30.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.973 -0.558 . . . . 61.0 110.804 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.697 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.3 mm? -96.03 152.92 39.23 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.717 -0.475 . . . . 61.0 109.717 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -69.41 -9.59 26.64 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.269 1.979 . . . . 61.0 110.555 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.77 -5.43 59.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.645 -1.161 . . . . 61.0 109.824 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.51 17.3 64.42 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.67 -0.695 . . . . 61.0 112.232 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -101.05 168.69 9.44 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.107 -0.331 . . . . 61.0 110.107 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.12 127.57 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.639 -0.504 . . . . 61.0 109.639 175.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 35.1 tp -115.63 107.83 15.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.278 -0.419 . . . . 61.0 110.268 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.583 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 80.6 p -94.3 168.01 11.17 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.788 -0.449 . . . . 61.0 109.788 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.631 ' HE ' HG22 ' A' ' 50' ' ' ILE . 49.5 mtp180 -70.98 -10.56 59.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.898 0.38 . . . . 61.0 110.233 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.86 -12.46 22.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.865 -0.607 . . . . 61.0 110.72 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -85.14 -8.16 58.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.01 0.433 . . . . 61.0 110.072 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.518 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 65.6 mt -63.52 140.69 97.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.599 -0.728 . . . . 61.0 110.333 174.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.01 142.45 65.09 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.146 2.564 . . . . 61.0 111.837 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.09 156.88 52.31 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.589 2.192 . . . . 61.0 112.741 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 mt -67.33 -21.7 65.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.863 -0.608 . . . . 61.0 110.238 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.47 -20.61 66.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.207 -0.906 . . . . 61.0 111.311 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.621 HG21 ' HD3' ' A' ' 37' ' ' ARG . 52.9 m -67.35 115.21 6.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.478 0.656 . . . . 61.0 112.511 -178.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 15.7 tpt180 -108.01 -40.76 5.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.486 -0.779 . . . . 61.0 109.506 168.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -69.56 87.04 0.47 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.486 0.66 . . . . 61.0 110.381 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.459 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 97.1 m95 -76.79 100.09 5.36 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.394 -0.821 . . . . 61.0 111.489 177.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.15 172.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.824 -0.625 . . . . 61.0 109.718 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.3 -41.4 84.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.71 0.291 . . . . 61.0 111.45 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -58.87 -50.33 74.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.073 -0.512 . . . . 61.0 111.218 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.621 ' HD3' HG21 ' A' ' 30' ' ' THR . 89.0 mtt180 -70.4 -37.71 74.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.977 -0.556 . . . . 61.0 111.501 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' HE2' ' O ' ' A' ' 33' ' ' TRP . 63.7 mttm -61.47 -43.17 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 61.0 110.592 176.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -61.54 -42.93 99.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.848 -0.615 . . . . 61.0 111.357 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.68 87.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.446 -0.343 . . . . 61.0 111.144 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.95 -49.43 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 61.0 111.337 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.9 p -66.85 -38.66 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.531 -0.304 . . . . 61.0 111.308 -176.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.697 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.8 mttt -67.55 -27.1 66.67 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.609 0.242 . . . . 61.0 110.708 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.476 ' HB2' HD21 ' A' ' 25' ' ' LEU . . . -65.26 -50.82 64.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.359 . . . . 61.0 111.058 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 50' ' ' ILE . 54.5 t -67.18 -40.55 85.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.326 0.584 . . . . 61.0 109.904 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.3 mt -57.6 -37.5 58.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 114.995 -1.002 . . . . 61.0 112.241 -178.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -95.26 4.26 53.69 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.663 -0.415 . . . . 61.0 111.698 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.76 15.77 78.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 61.0 112.888 176.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.4 tp -65.91 -51.19 60.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.685 0.755 . . . . 61.0 109.446 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.631 HG22 ' HE ' ' A' ' 22' ' ' ARG . 37.4 pt -125.17 168.36 18.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.821 -1.081 . . . . 61.0 108.976 175.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.516 HG23 ' H ' ' A' ' 54' ' ' GLU . 6.1 t -90.54 152.42 20.92 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.438 0.637 . . . . 61.0 110.845 177.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 17.6 tt0 -56.89 -38.86 73.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.954 -1.021 . . . . 61.0 110.555 -177.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 53' ' ' ARG . 16.4 mmt180 -74.9 -21.15 59.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.424 -0.807 . . . . 61.0 111.152 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 42.5 tt0 -70.63 -45.94 64.27 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.484 -0.561 . . . . 61.0 109.484 175.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.48 93.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.733 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 32.7 mt -68.06 -26.51 65.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.616 . . . . 61.0 110.8 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -85.21 -55.99 3.76 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.965 -0.294 . . . . 61.0 111.638 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.6 ptm180 -65.09 -24.18 67.37 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.226 0.454 . . . . 61.0 112.226 -174.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.518 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 38.2 m-85 -114.29 4.87 15.58 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.63 -0.428 . . . . 61.0 111.155 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 p 47.93 63.12 2.16 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.912 0.863 . . . . 61.0 110.756 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 85.2 mt -109.21 147.49 32.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.858 -1.064 . . . . 61.0 109.686 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.431 ' HB3' ' OE1' ' A' ' 64' ' ' GLU . 21.7 m -89.52 156.96 18.29 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.038 -0.528 . . . . 61.0 109.918 177.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -57.92 -41.32 82.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.524 -0.762 . . . . 61.0 110.752 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.552 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.8 pm0 -68.57 -32.48 72.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.808 -0.633 . . . . 61.0 110.819 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -62.7 -56.91 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.51 -0.552 . . . . 61.0 109.51 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.09 -33.2 73.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.998 -0.546 . . . . 61.0 110.767 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 70' ' ' ARG . . . -59.44 -40.83 88.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 61.0 110.534 176.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 90.7 mt -65.8 -46.7 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.564 177.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -52.64 -48.84 66.15 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.089 -0.505 . . . . 61.0 111.101 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HA ' HG21 ' A' ' 42' ' ' VAL . 8.4 ptm180 -72.0 -30.79 65.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.406 -0.361 . . . . 61.0 110.783 -176.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.2 m -76.47 -17.89 59.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.976 0.417 . . . . 61.0 110.797 179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.67 -42.66 8.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 61.0 111.511 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.33 -0.24 0 N-CA-C 112.031 0.382 . . . . 61.0 112.031 -175.405 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 120.587 0.232 . . . . 61.0 111.267 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.7 pt20 -147.71 151.2 35.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.761 0.315 . . . . 61.0 110.956 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.2 m -130.01 165.66 29.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.575 . . . . 61.0 110.403 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.7 m -102.37 142.36 33.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.972 0.415 . . . . 61.0 110.949 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.677 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.1 mm? -96.03 151.15 38.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.287 -0.415 . . . . 61.0 109.932 176.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -69.11 -12.69 34.76 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.121 1.881 . . . . 61.0 110.016 171.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.91 -7.22 55.14 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.431 -1.259 . . . . 61.0 109.464 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.0 14.16 70.13 Favored Glycine 0 C--N 1.334 0.458 0 CA-C-N 115.776 -0.647 . . . . 61.0 112.332 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.589 ' HB ' HD23 ' A' ' 14' ' ' LEU . 2.1 m -98.96 167.71 10.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.57 0.224 . . . . 61.0 110.807 -177.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.3 t -114.02 123.55 69.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.682 -0.488 . . . . 61.0 109.682 174.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.677 ' HB2' HD21 ' A' ' 14' ' ' LEU . 46.8 tp -116.43 115.45 25.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.041 0.448 . . . . 61.0 110.229 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 8.7 m -107.64 161.54 14.77 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.921 -0.582 . . . . 61.0 110.18 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.604 ' NH1' HG22 ' A' ' 50' ' ' ILE . 75.1 mtp85 -65.92 -25.1 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.684 0.278 . . . . 61.0 111.59 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.39 -5.06 50.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.877 0.37 . . . . 61.0 110.566 176.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' HB3' ' H ' ' A' ' 21' ' ' SER . 35.4 t70 -88.71 -16.5 32.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.179 0.514 . . . . 61.0 109.85 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.8 mt -55.77 146.89 44.59 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 115.273 -0.876 . . . . 61.0 110.525 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.06 149.12 64.63 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.934 2.423 . . . . 61.0 112.477 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.606 ' O ' HG22 ' A' ' 30' ' ' THR . 19.4 Cg_endo -60.7 157.09 39.09 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.697 2.265 . . . . 61.0 111.56 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 58' ' ' ARG . 48.9 mt -74.15 -6.71 49.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.101 0.477 . . . . 61.0 110.931 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.9 -13.2 54.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.813 -0.63 . . . . 61.0 111.764 -175.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 27' ' ' PRO . 7.2 t -71.95 111.47 7.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.894 0.854 . . . . 61.0 112.513 -171.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 16.1 mmm180 -104.56 -29.75 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.355 -0.839 . . . . 61.0 109.301 168.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -79.98 71.72 6.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.903 0.858 . . . . 61.0 109.386 174.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -67.1 103.29 1.16 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.011 -0.995 . . . . 61.0 112.087 -176.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 m -82.65 163.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.778 -0.646 . . . . 61.0 109.616 172.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.18 81.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 61.0 111.186 -176.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 m -58.56 -37.09 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 61.0 111.458 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -80.14 -41.56 25.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.63 -0.259 . . . . 61.0 111.075 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -61.39 -45.3 94.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 61.0 110.749 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.35 91.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.852 -0.613 . . . . 61.0 111.075 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.45 80.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.451 -0.341 . . . . 61.0 111.013 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.3 t -62.79 -49.62 82.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.151 -0.477 . . . . 61.0 111.266 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.576 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.0 p -68.75 -41.25 82.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.378 -0.373 . . . . 61.0 111.225 -176.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.527 ' HD3' HD12 ' A' ' 14' ' ' LEU . 44.0 mttm -65.56 -29.87 70.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.622 0.249 . . . . 61.0 110.354 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -61.95 -45.64 92.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 61.0 110.6 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.424 HG22 HG13 ' A' ' 50' ' ' ILE . 51.6 t -68.65 -40.31 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 61.0 110.878 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 42' ' ' VAL . 79.3 mt -67.32 -23.81 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 115.86 -0.609 . . . . 61.0 111.419 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -99.37 -7.42 26.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.835 0.309 . . . . 61.0 111.835 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.37 19.31 60.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.421 -0.895 . . . . 61.0 112.564 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.477 HD22 ' HG ' ' A' ' 20' ' ' LEU . 50.2 tp -73.89 -41.7 61.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.563 0.697 . . . . 61.0 109.256 176.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.604 HG22 ' NH1' ' A' ' 22' ' ' ARG . 33.7 pt -134.71 165.49 31.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.851 -1.068 . . . . 61.0 108.483 175.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 54' ' ' GLU . 3.1 t -93.32 154.29 18.07 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 120.517 -0.473 . . . . 61.0 110.085 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 33.3 tt0 -55.45 -43.9 75.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 61.0 110.675 -177.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HD2' HD12 ' A' ' 56' ' ' LEU . 5.7 mmm180 -66.53 -32.38 73.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.784 -0.644 . . . . 61.0 111.301 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 34.6 tt0 -64.93 -42.87 94.31 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.667 -0.494 . . . . 61.0 109.667 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.05 99.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.221 0.534 . . . . 61.0 110.512 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 62.7 mt -69.35 -28.69 66.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.531 -0.759 . . . . 61.0 111.322 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -94.71 -24.53 17.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.879 0.696 . . . . 61.0 112.879 -175.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm180 -84.43 -18.18 36.81 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.2 -0.6 . . . . 61.0 110.868 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.422 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 71.9 m-85 -117.37 0.88 12.31 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.049 -0.26 . . . . 61.0 111.314 178.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.3 m 59.15 38.36 23.71 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.275 0.56 . . . . 61.0 111.314 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.54 HD22 ' HG2' ' A' ' 65' ' ' GLU . 93.3 mt -91.93 167.2 12.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.82 -0.627 . . . . 61.0 111.171 -176.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -105.56 163.5 12.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.685 -0.689 . . . . 61.0 109.948 175.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.49 -38.29 89.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 120.677 0.275 . . . . 61.0 110.668 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.49 -28.53 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.438 -0.346 . . . . 61.0 111.096 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.54 ' HG2' HD22 ' A' ' 61' ' ' LEU . 7.6 tp10 -67.27 -56.87 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.01 -0.737 . . . . 61.0 109.01 176.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.64 -32.42 70.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.079 -0.964 . . . . 61.0 110.621 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' A' ' 70' ' ' ARG . . . -61.43 -41.15 96.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 61.0 110.927 177.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.72 -42.58 86.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.274 -0.421 . . . . 61.0 110.168 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -58.81 -54.25 49.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.799 -0.637 . . . . 61.0 111.069 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.576 ' HA ' HG21 ' A' ' 42' ' ' VAL . 11.2 ptm180 -64.61 -26.92 68.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.438 -0.346 . . . . 61.0 111.117 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 t -72.91 -43.63 62.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 61.0 110.232 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.66 -39.36 37.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.17 -0.468 . . . . 61.0 111.879 -175.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.4 t . . . . . 0 C--N 1.328 -0.366 0 N-CA-C 112.053 0.39 . . . . 61.0 112.053 -174.731 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.984 0.421 . . . . 61.0 110.05 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.587 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.9 pt20 -154.49 143.0 20.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.74 -0.664 . . . . 61.0 110.846 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.0 m -122.65 161.51 23.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.958 -0.564 . . . . 61.0 110.345 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 m -96.37 141.57 29.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.897 0.38 . . . . 61.0 110.955 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -91.87 142.8 26.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 109.53 -0.544 . . . . 61.0 109.53 174.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.452 ' HD3' ' CE1' ' A' ' 47' ' ' HIS . 23.4 Cg_exo -63.82 -8.96 17.05 Favored 'Trans proline' 0 CA--C 1.527 0.146 0 C-N-CA 122.663 2.242 . . . . 61.0 110.94 172.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -85.24 -2.44 58.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.105 -0.952 . . . . 61.0 110.036 177.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.16 59.21 3.44 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.526 -0.629 . . . . 61.0 111.526 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.401 ' HB ' HD23 ' A' ' 14' ' ' LEU . 8.6 m -150.51 166.47 30.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.58 -0.526 . . . . 61.0 109.58 -177.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -111.56 130.47 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.686 0.279 . . . . 61.0 110.67 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.74 ' HB2' HD21 ' A' ' 14' ' ' LEU . 61.1 tp -119.06 99.22 6.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.587 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 87.0 p -89.36 172.23 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.284 -0.636 . . . . 61.0 109.284 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -70.12 -13.49 62.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.289 0.566 . . . . 61.0 110.055 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.07 -7.06 52.82 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.921 -0.581 . . . . 61.0 110.859 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.467 ' HB2' HD12 ' A' ' 20' ' ' LEU . 10.8 m-20 -87.88 -4.69 58.83 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.183 -0.462 . . . . 61.0 110.429 177.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.448 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 85.3 mt -68.92 148.14 97.89 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.736 -0.666 . . . . 61.0 110.306 175.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.77 150.16 88.57 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.56 2.173 . . . . 61.0 111.697 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.67 166.1 27.18 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.755 2.303 . . . . 61.0 112.945 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.32 -13.81 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.903 -0.589 . . . . 61.0 111.084 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -80.91 0.29 35.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.527 . . . . 61.0 110.449 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 37' ' ' ARG . 99.8 m -83.65 120.04 25.49 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.609 0.719 . . . . 61.0 111.795 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -128.73 -31.16 2.23 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.872 -1.058 . . . . 61.0 108.698 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -78.19 79.74 4.63 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 107.917 -1.142 . . . . 61.0 107.917 171.448 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -75.46 110.72 10.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.359 -0.837 . . . . 61.0 112.042 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.3 m -89.94 170.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.636 -0.711 . . . . 61.0 109.925 172.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.27 -44.69 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.864 0.32 . . . . 61.0 111.864 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 p -60.93 -41.35 96.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.999 0.428 . . . . 61.0 111.447 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.591 ' HD3' HG21 ' A' ' 30' ' ' THR . 76.4 mtt180 -71.03 -38.41 72.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 61.0 111.286 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.28 -42.27 93.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.883 0.373 . . . . 61.0 110.474 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.38 98.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.837 -0.619 . . . . 61.0 111.333 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.29 92.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.714 0.293 . . . . 61.0 110.994 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.99 -52.79 49.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.354 -0.385 . . . . 61.0 111.128 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.577 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -66.49 -40.16 85.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.322 -0.399 . . . . 61.0 111.32 -175.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.496 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.2 mttt -65.19 -31.58 72.84 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 120.616 0.246 . . . . 61.0 110.735 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.76 -45.05 95.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.276 -0.42 . . . . 61.0 110.379 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.68 -46.13 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.276 -0.42 . . . . 61.0 110.763 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 42' ' ' VAL . 74.5 mt -62.03 -30.14 48.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 116.025 -0.534 . . . . 61.0 111.7 -177.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.452 ' CE1' ' HD3' ' A' ' 15' ' ' PRO . 74.9 m-70 -92.96 -13.41 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.936 -0.306 . . . . 61.0 111.572 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.67 9.12 58.99 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.479 -0.867 . . . . 61.0 113.395 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.524 HD22 ' HG ' ' A' ' 20' ' ' LEU . 50.0 tp -62.77 -42.24 99.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.593 0.711 . . . . 61.0 109.715 178.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.708 ' HB ' ' HG2' ' A' ' 54' ' ' GLU . 46.4 pt -133.82 177.24 7.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.021 -0.991 . . . . 61.0 108.862 175.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.627 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 3.5 t -106.09 158.0 17.13 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.893 -0.41 . . . . 61.0 109.893 175.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.571 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 30.6 tt0 -57.53 -40.79 79.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.153 0.501 . . . . 61.0 110.281 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.576 HH11 ' HB2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -66.29 -27.43 67.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 61.0 109.95 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.708 ' HG2' ' HB ' ' A' ' 50' ' ' ILE . 3.5 tp10 -66.4 -51.55 55.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.581 -0.736 . . . . 61.0 109.717 177.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.51 81.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.712 -0.677 . . . . 61.0 111.109 -176.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 77.7 mt -60.58 -35.47 76.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 61.0 111.335 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.576 ' HB2' HH11 ' A' ' 53' ' ' ARG . 30.7 t70 -79.97 -48.6 13.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.898 0.38 . . . . 61.0 111.534 -175.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -70.64 -35.51 72.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 61.0 111.799 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.448 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 45.4 m-85 -97.37 -4.55 38.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.069 -0.252 . . . . 61.0 111.022 -177.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.3 t 60.96 73.55 0.48 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.479 0.657 . . . . 61.0 109.851 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 88.8 mt -131.82 156.64 45.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.431 -0.804 . . . . 61.0 110.414 -178.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 m -102.74 159.27 15.62 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.101 -0.5 . . . . 61.0 109.663 176.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -60.45 -38.5 84.36 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.717 -0.219 . . . . 61.0 110.713 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.04 -36.74 80.35 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.942 0.401 . . . . 61.0 110.684 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.434 ' HG2' HD22 ' A' ' 61' ' ' LEU . 15.1 tp10 -66.24 -53.77 33.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.318 -0.623 . . . . 61.0 109.318 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.473 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 54.7 t80 -60.28 -34.11 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.548 -0.751 . . . . 61.0 110.548 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.49 91.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.234 -0.439 . . . . 61.0 110.708 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.54 -44.31 97.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 61.0 110.11 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -58.9 -55.41 35.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.91 -0.586 . . . . 61.0 111.175 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HA ' HG21 ' A' ' 42' ' ' VAL . 1.3 ptm180 -66.29 -33.08 74.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 61.0 111.465 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.1 t -71.3 -36.2 71.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.948 0.404 . . . . 61.0 110.272 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.24 -53.66 18.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 61.0 110.921 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.552 HG21 HG11 ' A' ' 42' ' ' VAL . 85.2 t . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.865 -0.607 . . . . 61.0 111.562 -176.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 121.306 0.574 . . . . 61.0 109.912 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.576 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.2 pt20 -149.06 138.09 21.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.271 -0.877 . . . . 61.0 110.582 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.442 HG21 ' HB2' ' A' ' 47' ' ' HIS . 19.5 m -118.56 149.57 20.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.841 -0.618 . . . . 61.0 110.364 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 14' ' ' LEU . 26.2 m -85.99 136.21 33.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.296 -0.411 . . . . 61.0 111.111 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -79.14 160.15 71.52 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 108.849 -0.797 . . . . 61.0 108.849 172.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -60.08 -20.35 60.63 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.31 2.007 . . . . 61.0 111.864 178.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -77.67 -22.52 50.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.234 -0.894 . . . . 61.0 111.179 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.16 -2.11 37.85 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.803 -0.713 . . . . 61.0 111.329 -174.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.426 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.13 166.69 23.26 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 122.291 0.236 . . . . 61.0 110.944 178.625 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.68 131.52 57.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.105 0.479 . . . . 61.0 111.134 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.667 ' HB2' HD21 ' A' ' 14' ' ' LEU . 67.7 tp -119.88 99.12 6.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.612 -0.722 . . . . 61.0 109.517 175.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.576 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.0 p -95.51 173.81 7.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.369 -0.378 . . . . 61.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.482 ' HG3' HD11 ' A' ' 49' ' ' LEU . 79.8 mtt180 -73.25 -12.09 60.74 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.332 -0.395 . . . . 61.0 110.757 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.15 -8.68 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 61.0 110.243 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -86.03 -17.32 35.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 61.0 110.315 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -57.9 137.2 83.52 Favored Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 116.032 -0.531 . . . . 61.0 110.909 176.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.41 155.05 64.56 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.006 2.471 . . . . 61.0 112.128 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 59.3 Cg_endo -69.66 156.78 62.71 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.717 2.278 . . . . 61.0 112.609 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.4 mt -74.26 -14.52 60.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.329 0.585 . . . . 61.0 109.92 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.8 -4.26 36.63 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.181 -0.918 . . . . 61.0 110.484 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.406 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 89.8 m -77.2 111.3 12.67 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.858 -0.61 . . . . 61.0 111.539 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -106.64 -38.62 6.08 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.502 -0.925 . . . . 61.0 108.502 170.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -75.14 84.93 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.405 -0.816 . . . . 61.0 109.594 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -75.07 108.4 7.78 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.497 -0.774 . . . . 61.0 112.074 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.29 161.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.307 -0.861 . . . . 61.0 109.739 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.8 70.79 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.308 0.38 . . . . 61.0 111.938 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -55.19 -47.1 75.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.199 0.523 . . . . 61.0 110.871 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 41' ' ' VAL . 91.6 mtt180 -76.97 -34.18 57.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.717 -0.674 . . . . 61.0 110.678 -176.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.28 -46.53 83.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 61.0 110.765 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.22 -44.81 92.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.699 -0.682 . . . . 61.0 111.281 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.03 86.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.408 -0.36 . . . . 61.0 111.274 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 37' ' ' ARG . 90.2 t -66.14 -52.15 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.401 . . . . 61.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.2 p -68.13 -38.95 80.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.201 -0.454 . . . . 61.0 111.384 -175.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.22 -29.25 70.03 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.75 0.309 . . . . 61.0 110.35 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.65 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.875 -0.602 . . . . 61.0 110.439 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.89 -43.0 96.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.18 0.514 . . . . 61.0 110.477 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.85 -48.58 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.541 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.442 ' HB2' HG21 ' A' ' 12' ' ' VAL . 53.0 m-70 -77.34 -3.89 42.34 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.989 0.366 . . . . 61.0 111.989 -176.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.21 23.69 53.98 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.387 -0.911 . . . . 61.0 112.72 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD11 ' HG3' ' A' ' 22' ' ' ARG . 52.1 tp -75.9 -46.15 31.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.372 0.606 . . . . 61.0 109.474 177.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 35.0 pt -132.9 172.73 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.959 -1.019 . . . . 61.0 109.218 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 54' ' ' GLU . 5.0 t -98.49 157.31 16.3 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.922 0.391 . . . . 61.0 110.61 177.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 37.4 tt0 -58.66 -46.11 87.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.99 -0.55 . . . . 61.0 110.675 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -31.94 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.746 -0.661 . . . . 61.0 111.013 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.518 ' H ' HG23 ' A' ' 51' ' ' THR . 12.2 tp10 -59.52 -48.24 82.4 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.499 -0.556 . . . . 61.0 109.499 176.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.99 76.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.594 -0.73 . . . . 61.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 75.0 mt -58.22 -44.45 88.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.119 -0.491 . . . . 61.0 111.111 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.33 -54.57 16.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.371 . . . . 61.0 111.84 -178.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 12.3 ptp180 -73.08 -21.65 60.73 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.147 0.425 . . . . 61.0 112.147 -171.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.45 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 47.6 m-85 -110.21 4.08 20.65 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.589 -0.444 . . . . 61.0 111.86 -177.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 t 61.65 37.46 15.99 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.311 0.577 . . . . 61.0 110.437 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 71.2 mt -96.58 144.85 26.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.862 -0.608 . . . . 61.0 110.414 -177.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.3 m -99.86 165.39 11.58 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.979 -0.555 . . . . 61.0 109.803 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -54.23 -49.57 69.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 61.0 111.23 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.0 -25.97 67.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 61.0 111.272 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.39 -56.23 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.505 -0.554 . . . . 61.0 109.505 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -62.39 -30.8 71.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.748 -0.66 . . . . 61.0 110.504 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.42 90.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.092 -0.504 . . . . 61.0 110.439 175.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -47.16 78.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 61.0 110.41 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 17.4 m0 -54.8 -54.19 45.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.768 -0.651 . . . . 61.0 111.554 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.556 ' HA ' HG21 ' A' ' 42' ' ' VAL . 13.6 ptm180 -67.99 -25.81 65.6 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.968 -0.293 . . . . 61.0 111.397 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.4 m -73.81 -38.08 64.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 61.0 110.585 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.99 -19.16 57.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 61.0 111.593 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--N 1.326 -0.416 0 N-CA-C 111.788 0.292 . . . . 61.0 111.788 -178.756 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 . . . . . 0 C--O 1.234 0.27 0 N-CA-C 111.822 0.304 . . . . 61.0 111.822 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.4 pt20 -150.7 148.07 28.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.07 -0.252 . . . . 61.0 111.135 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 m -129.81 158.56 42.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.515 . . . . 61.0 110.06 174.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -102.03 138.31 39.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.392 -0.367 . . . . 61.0 110.588 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -85.61 151.7 56.09 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.699 -0.482 . . . . 61.0 109.699 176.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.11 -16.78 49.9 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.51 2.14 . . . . 61.0 110.809 174.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.78 -22.02 50.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.812 -1.086 . . . . 61.0 110.942 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.78 -1.15 34.0 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.59 -0.814 . . . . 61.0 111.79 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.64 164.86 20.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.612 0.244 . . . . 61.0 111.111 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.2 t -115.2 130.25 70.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 110.216 -0.291 . . . . 61.0 110.216 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 59.8 tp -122.83 104.12 9.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.329 -0.396 . . . . 61.0 110.239 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 92.0 p -98.79 171.34 8.15 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.85 -0.426 . . . . 61.0 109.85 177.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' NH1' HG22 ' A' ' 50' ' ' ILE . 72.8 mtp85 -69.84 -4.82 21.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.049 0.452 . . . . 61.0 110.716 178.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.55 -2.35 28.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 61.0 110.596 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' HB2' HD12 ' A' ' 20' ' ' LEU . 7.1 m-20 -89.94 -12.1 39.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.482 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.2 mt -57.74 131.31 82.51 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.778 -0.647 . . . . 61.0 110.596 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.58 161.93 7.05 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.785 2.99 . . . . 61.0 112.824 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.486 ' HG2' ' HB ' ' A' ' 30' ' ' THR . 11.1 Cg_endo -54.09 134.05 58.22 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.048 2.499 . . . . 61.0 112.296 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' A' ' 58' ' ' ARG . 53.5 mt -61.25 -34.03 74.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.589 . . . . 61.0 111.427 -176.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.696 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 1.1 m-20 -101.06 32.19 3.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.469 -0.332 . . . . 61.0 111.452 -176.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.486 ' HB ' ' HG2' ' A' ' 27' ' ' PRO . 10.0 t -67.41 -44.45 78.77 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.17 -0.212 . . . . 61.0 111.466 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.696 ' NH1' ' HA ' ' A' ' 29' ' ' ASP . 9.4 mpt_? 65.75 -69.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.296 0.638 . . . . 61.0 112.113 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -77.72 82.14 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.478 0.656 . . . . 61.0 109.964 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -65.76 129.71 40.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.741 -1.118 . . . . 61.0 112.769 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.2 m -103.77 164.28 3.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.599 . . . . 61.0 109.533 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.57 -41.53 73.46 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.503 0.557 . . . . 61.0 112.503 -173.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 m -64.17 -44.8 90.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.363 -0.381 . . . . 61.0 111.606 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -70.72 -35.62 72.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.608 -0.269 . . . . 61.0 110.52 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.12 -44.56 97.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.999 0.428 . . . . 61.0 110.399 174.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.05 88.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.417 -0.81 . . . . 61.0 111.141 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.69 -44.22 85.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.47 -0.332 . . . . 61.0 111.315 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.4 t -67.11 -48.86 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.414 -0.357 . . . . 61.0 111.392 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.4 p -66.45 -37.13 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.718 -0.393 . . . . 61.0 110.945 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.39 -34.14 77.49 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 110.242 -0.281 . . . . 61.0 110.242 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.41 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -61.67 -46.42 89.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 61.0 110.691 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.516 HG22 HG13 ' A' ' 50' ' ' ILE . 58.2 t -74.24 -34.36 37.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.569 -0.287 . . . . 61.0 111.259 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.59 -42.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.496 0.189 . . . . 61.0 111.2 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -80.06 -11.61 59.75 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.962 -0.295 . . . . 61.0 111.036 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.68 21.17 34.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 61.0 113.027 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.411 HD22 ' HG ' ' A' ' 20' ' ' LEU . 50.5 tp -71.95 -42.15 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.543 . . . . 61.0 110.141 178.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.516 HG13 HG22 ' A' ' 45' ' ' VAL . 43.4 pt -138.29 166.61 23.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.33 -0.85 . . . . 61.0 109.925 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.548 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 1.8 t -91.07 159.16 16.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.129 0.49 . . . . 61.0 110.222 174.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.55 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 23.9 tt0 -58.87 -43.76 90.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.78 -0.645 . . . . 61.0 110.175 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -29.41 69.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 61.0 110.764 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.548 ' HB3' ' O ' ' A' ' 51' ' ' THR . 7.6 tp10 -58.73 -47.84 83.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.328 -0.619 . . . . 61.0 109.328 175.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.95 -48.77 62.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.42 -0.809 . . . . 61.0 111.173 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 85.3 mt -57.4 -40.11 77.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.063 -0.517 . . . . 61.0 111.701 -177.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -55.22 13.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.719 0.266 . . . . 61.0 111.719 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.532 ' HB2' HD22 ' A' ' 28' ' ' LEU . 12.6 ptp180 -66.34 -29.12 69.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.209 0.448 . . . . 61.0 112.209 -173.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -101.63 -1.08 33.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.908 -0.317 . . . . 61.0 111.6 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 t 58.1 39.65 25.93 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.313 0.577 . . . . 61.0 110.439 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.559 HD22 ' HG2' ' A' ' 65' ' ' GLU . 97.6 mt -94.15 168.63 10.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 61.0 111.225 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 m -112.6 159.19 19.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.313 -0.858 . . . . 61.0 109.608 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -57.15 -41.59 79.42 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.08 -0.509 . . . . 61.0 111.365 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.594 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.7 pt-20 -57.06 -38.27 73.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.19 -0.459 . . . . 61.0 111.586 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.559 ' HG2' HD22 ' A' ' 61' ' ' LEU . 14.4 tp10 -65.22 -54.65 26.26 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.544 -0.539 . . . . 61.0 109.544 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -60.95 -38.36 85.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.767 -0.652 . . . . 61.0 110.79 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.485 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . . . -56.9 -38.23 72.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 61.0 110.988 176.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 97.4 mt -67.94 -44.56 76.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.322 -0.399 . . . . 61.0 110.285 179.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.6 m0 -54.53 -51.17 65.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.799 -0.637 . . . . 61.0 110.623 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.485 ' NE ' ' HA ' ' A' ' 67' ' ' ALA . 8.8 ptt180 -68.5 -31.05 70.05 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.017 -0.273 . . . . 61.0 111.499 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.0 m -65.46 -32.33 73.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.939 0.4 . . . . 61.0 110.625 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.3 -47.88 8.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.289 -0.414 . . . . 61.0 112.006 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.0 t . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 112.378 0.51 . . . . 61.0 112.378 -173.245 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 CA--C 1.52 -0.199 0 CA-C-O 120.718 0.294 . . . . 61.0 110.683 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.6 pt20 -141.63 142.6 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 61.0 110.825 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.45 148.85 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.968 -0.56 . . . . 61.0 110.112 174.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.0 m -89.56 130.34 35.89 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.175 0.512 . . . . 61.0 110.886 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.668 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -78.84 143.93 63.23 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.706 -0.849 . . . . 61.0 108.706 172.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.627 ' HD3' ' CE1' ' A' ' 47' ' ' HIS . 55.5 Cg_endo -73.57 -4.82 16.07 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.12 1.88 . . . . 61.0 109.284 173.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.59 -10.07 59.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 113.806 -1.543 . . . . 61.0 108.854 173.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.78 47.99 5.39 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.665 -0.698 . . . . 61.0 111.873 -177.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -143.04 166.33 24.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.922 -0.399 . . . . 61.0 109.922 -175.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.1 t -111.57 127.81 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.683 0.278 . . . . 61.0 110.683 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.668 ' HB2' HD21 ' A' ' 14' ' ' LEU . 57.1 tp -116.73 108.47 15.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.766 -0.457 . . . . 61.0 109.766 177.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 23.0 p -99.56 163.26 12.58 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.92 -0.582 . . . . 61.0 110.614 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.423 ' HG3' HD11 ' A' ' 49' ' ' LEU . 91.9 mtt180 -65.21 -27.12 68.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.352 -0.385 . . . . 61.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.64 -8.1 59.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.195 -0.457 . . . . 61.0 110.893 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.0 -9.03 41.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.11 0.481 . . . . 61.0 110.361 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.47 153.19 61.82 Favored Pre-proline 0 C--O 1.236 0.374 0 CA-C-N 115.708 -0.678 . . . . 61.0 110.891 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.1 148.21 74.83 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.536 2.157 . . . . 61.0 111.814 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.24 158.59 51.49 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.879 2.386 . . . . 61.0 112.717 -176.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.11 -10.38 59.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.259 0.552 . . . . 61.0 110.756 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.17 -3.57 46.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.607 0.718 . . . . 61.0 110.149 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.8 m -86.66 92.43 8.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.801 -0.636 . . . . 61.0 112.223 -176.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -99.48 -24.05 14.9 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.541 -1.281 . . . . 61.0 107.541 161.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HG2' ' H ' ' A' ' 32' ' ' ARG . 14.7 ptt180 -72.19 70.86 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 113.867 -1.515 . . . . 61.0 109.731 168.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.95 109.01 9.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.258 -0.883 . . . . 61.0 111.893 -175.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.3 m -88.82 163.18 2.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.697 -0.683 . . . . 61.0 109.918 172.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.05 71.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.451 0.537 . . . . 61.0 112.451 -173.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 m -66.71 -36.33 82.23 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.957 0.354 . . . . 61.0 111.957 -176.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' O ' HG23 ' A' ' 41' ' ' VAL . 93.4 mtt180 -69.89 -35.97 75.06 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.067 -0.253 . . . . 61.0 110.472 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -65.17 -42.68 93.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.99 0.424 . . . . 61.0 110.106 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.65 -39.2 93.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 61.0 111.265 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.44 98.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.75 0.309 . . . . 61.0 111.061 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 37' ' ' ARG . 90.1 t -67.4 -46.73 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 61.0 111.388 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.541 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.9 p -65.51 -39.06 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.899 -0.32 . . . . 61.0 111.085 -177.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.534 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.1 mttt -68.83 -32.99 73.08 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 109.941 -0.392 . . . . 61.0 109.941 177.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -60.73 -44.76 96.24 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 61.0 110.922 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.1 t -69.35 -42.48 81.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.251 -0.431 . . . . 61.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.3 mt -71.69 -29.12 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.962 -0.563 . . . . 61.0 111.822 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.627 ' CE1' ' HD3' ' A' ' 15' ' ' PRO . 71.7 m-70 -89.36 -5.01 57.84 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.966 -0.459 . . . . 61.0 111.467 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.07 27.35 37.56 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.464 -0.874 . . . . 61.0 112.919 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD22 ' HG ' ' A' ' 20' ' ' LEU . 47.5 tp -80.11 -47.49 14.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.632 0.73 . . . . 61.0 109.296 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.7 pt -130.2 -179.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.728 -1.124 . . . . 61.0 108.575 175.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.564 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 2.8 t -106.32 158.11 17.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.03 0.443 . . . . 61.0 110.845 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.0 tt0 -62.9 -38.55 91.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.788 -0.642 . . . . 61.0 110.41 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -63.82 -37.74 88.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.309 -0.859 . . . . 61.0 109.155 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.564 ' HB3' ' O ' ' A' ' 51' ' ' THR . 6.8 tp10 -59.42 -49.82 76.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.378 -0.828 . . . . 61.0 110.5 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.41 92.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 61.0 111.274 -176.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 21.6 mt -71.04 -31.87 68.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.185 -0.461 . . . . 61.0 110.94 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -80.77 -50.16 10.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.399 -0.364 . . . . 61.0 111.403 -175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 10.1 ptm85 -66.2 -38.25 87.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.504 -0.316 . . . . 61.0 111.823 -175.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.429 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 44.1 m-85 -97.09 -0.89 46.36 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.068 -0.253 . . . . 61.0 111.251 -177.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.1 t 61.17 34.78 18.74 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.112 -0.495 . . . . 61.0 110.574 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 95.8 mt -80.4 -177.74 6.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.726 -0.67 . . . . 61.0 111.414 -176.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -124.53 156.93 36.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.639 -0.709 . . . . 61.0 110.064 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -57.22 -44.85 84.14 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.603 -0.726 . . . . 61.0 110.7 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 7.7 pt-20 -62.26 -36.98 83.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.469 -0.787 . . . . 61.0 111.702 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -66.92 -54.89 17.6 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.824 -0.436 . . . . 61.0 109.824 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -61.93 -31.43 71.74 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.433 -0.349 . . . . 61.0 110.769 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.52 83.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.902 0.382 . . . . 61.0 110.513 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 93.6 mt -68.71 -42.56 77.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 61.0 110.146 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -54.3 -52.55 61.13 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.028 -0.533 . . . . 61.0 110.664 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.541 ' HA ' HG21 ' A' ' 42' ' ' VAL . 6.2 ptm180 -69.67 -24.53 63.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.868 -0.605 . . . . 61.0 111.255 -174.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.3 m -80.99 -29.39 35.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.871 0.367 . . . . 61.0 110.83 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.12 -16.92 44.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.434 -0.348 . . . . 61.0 111.454 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.732 0.301 . . . . 61.0 111.785 -178.491 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 121.045 0.45 . . . . 61.0 110.108 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 4.0 pt20 -150.75 141.25 22.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.645 -0.707 . . . . 61.0 110.911 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 20' ' ' LEU . 17.4 m -128.35 170.97 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.714 -0.675 . . . . 61.0 109.634 174.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 m -109.61 134.94 51.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.743 0.306 . . . . 61.0 111.164 -176.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.656 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.3 mm? -78.61 154.63 78.7 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.437 -0.579 . . . . 61.0 109.437 174.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.69 -9.98 27.27 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.406 2.071 . . . . 61.0 112.257 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -88.99 -25.65 21.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.796 -0.638 . . . . 61.0 110.251 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.94 -8.87 9.14 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.787 -0.642 . . . . 61.0 112.093 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.581 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.3 m -73.77 164.18 26.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.638 0.256 . . . . 61.0 111.037 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.0 t -108.69 137.25 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 110.017 -0.364 . . . . 61.0 110.017 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.656 ' HB2' HD21 ' A' ' 14' ' ' LEU . 66.9 tp -122.3 103.5 8.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.034 -0.358 . . . . 61.0 110.034 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.537 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 99.0 p -96.94 168.97 10.15 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.85 -0.426 . . . . 61.0 109.85 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.552 ' NH1' HG22 ' A' ' 50' ' ' ILE . 50.9 mtp85 -72.6 -5.78 39.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.072 0.463 . . . . 61.0 110.387 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.35 -15.37 38.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 61.0 109.877 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -82.2 -22.17 36.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 61.0 110.315 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -58.48 128.73 83.4 Favored Pre-proline 0 C--O 1.233 0.218 0 CA-C-N 115.801 -0.636 . . . . 61.0 110.7 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.67 154.97 56.55 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.096 2.53 . . . . 61.0 112.433 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 31.7 Cg_endo -63.72 164.12 22.4 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.836 2.357 . . . . 61.0 112.929 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.2 mt -83.62 -9.12 59.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.838 -0.619 . . . . 61.0 111.087 -174.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.91 0.46 57.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.124 -0.489 . . . . 61.0 110.969 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 87.6 m -78.82 109.66 13.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.474 -0.33 . . . . 61.0 111.301 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -105.31 -28.78 10.7 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.808 -0.442 . . . . 61.0 109.808 170.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -76.18 76.83 3.0 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.994 -0.743 . . . . 61.0 108.994 172.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -72.47 107.23 4.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.073 -0.967 . . . . 61.0 111.85 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.8 m -89.75 159.96 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.571 -0.74 . . . . 61.0 109.575 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.98 -40.97 70.62 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.349 0.406 . . . . 61.0 111.987 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.0 m -63.98 -35.44 80.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 61.0 111.585 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.8 mtt180 -80.76 -34.97 33.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.607 0.241 . . . . 61.0 110.573 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.86 -43.52 98.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.028 0.442 . . . . 61.0 110.156 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HB1' ' HE3' ' A' ' 43' ' ' LYS . . . -58.66 -49.66 76.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.376 -0.829 . . . . 61.0 111.269 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.54 73.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.685 0.279 . . . . 61.0 111.475 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 37' ' ' ARG . 84.2 t -70.18 -53.41 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 61.0 111.292 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.97 -39.08 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.337 -0.392 . . . . 61.0 111.12 -176.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HE3' ' HB1' ' A' ' 39' ' ' ALA . 98.4 mttt -66.59 -31.05 71.5 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.704 0.287 . . . . 61.0 110.396 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.52 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 61.0 110.3 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 65.2 t -62.97 -45.23 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.934 -0.575 . . . . 61.0 110.46 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.33 -29.84 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 115.632 -0.713 . . . . 61.0 112.026 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -98.48 -7.53 28.3 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.916 -0.314 . . . . 61.0 111.77 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.9 10.05 67.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.514 -0.85 . . . . 61.0 112.812 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.3 tp -63.49 -45.5 90.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.689 0.757 . . . . 61.0 108.987 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.552 HG22 ' NH1' ' A' ' 22' ' ' ARG . 29.9 pt -132.79 171.03 18.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.687 -1.142 . . . . 61.0 108.085 172.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.496 HG23 ' H ' ' A' ' 54' ' ' GLU . 5.1 t -104.78 157.37 17.25 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.503 -0.479 . . . . 61.0 110.027 176.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.3 tt0 -56.58 -40.18 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.396 0.617 . . . . 61.0 110.245 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -64.67 -32.37 74.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.204 -0.907 . . . . 61.0 109.835 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 60.9 tt0 -73.77 -37.71 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.881 -0.6 . . . . 61.0 110.155 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.77 -46.28 79.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.888 0.375 . . . . 61.0 110.346 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.535 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 52.0 mt -62.49 -34.79 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 61.0 109.893 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.8 -60.44 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.18 -0.918 . . . . 61.0 111.617 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 9.4 ptm180 -69.42 -28.66 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.86 0.689 . . . . 61.0 112.86 -172.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -107.57 5.91 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.57 -0.452 . . . . 61.0 111.972 -176.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.7 m 53.89 51.67 14.37 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.434 0.635 . . . . 61.0 110.473 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.546 HD22 ' HG2' ' A' ' 65' ' ' GLU . 97.5 mt -106.73 150.96 25.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.562 -0.745 . . . . 61.0 111.078 -176.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.467 ' HB2' ' HG2' ' A' ' 64' ' ' GLU . 31.6 m -104.76 162.43 13.31 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.359 -0.837 . . . . 61.0 109.098 172.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.99 -34.67 73.63 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.426 -0.352 . . . . 61.0 110.994 -177.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.467 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 11.1 pt-20 -53.37 -32.56 49.93 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.033 -0.531 . . . . 61.0 111.409 176.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HG2' HD22 ' A' ' 61' ' ' LEU . 20.0 tp10 -82.81 -57.21 3.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.242 0.544 . . . . 61.0 109.829 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.21 -34.35 73.52 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.649 -0.705 . . . . 61.0 111.511 -174.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.89 90.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.539 -0.3 . . . . 61.0 110.701 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.26 -40.96 81.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 61.0 110.25 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.424 ' NE1' ' HG3' ' A' ' 65' ' ' GLU . 25.1 m0 -54.95 -50.7 68.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.099 -0.5 . . . . 61.0 110.817 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -72.15 -25.07 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.997 -0.281 . . . . 61.0 111.756 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.8 m -75.39 -26.35 58.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.944 0.402 . . . . 61.0 110.435 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.32 -48.19 7.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.348 -0.387 . . . . 61.0 111.62 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.484 -0.326 . . . . 61.0 111.769 -174.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.62 0.248 . . . . 61.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.602 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.8 pt20 -154.92 146.58 23.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.908 0.385 . . . . 61.0 111.581 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.16 168.68 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.689 -0.687 . . . . 61.0 110.695 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -105.86 139.33 40.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.26 -0.427 . . . . 61.0 110.851 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.656 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.3 mm? -89.29 146.92 37.09 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.14 -0.482 . . . . 61.0 109.941 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.21 -11.36 30.95 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.641 2.227 . . . . 61.0 110.542 172.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.1 -8.49 59.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.941 -1.027 . . . . 61.0 109.914 177.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.3 41.61 7.36 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.837 -0.619 . . . . 61.0 111.994 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -132.02 167.46 19.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.699 -0.482 . . . . 61.0 109.699 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.2 t -113.22 131.6 64.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.191 -0.3 . . . . 61.0 110.191 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.626 ' HB2' HD21 ' A' ' 14' ' ' LEU . 44.0 tp -123.23 103.29 8.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.889 0.376 . . . . 61.0 110.36 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.602 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 3.2 m -91.73 165.47 13.27 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.982 -0.554 . . . . 61.0 109.576 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -64.8 -16.59 63.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.115 0.483 . . . . 61.0 110.614 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.65 -4.64 37.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.823 -0.626 . . . . 61.0 111.282 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -93.24 -0.36 56.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.254 0.549 . . . . 61.0 110.409 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.543 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 77.2 mt -67.7 156.74 88.31 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.467 -0.788 . . . . 61.0 110.561 177.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.75 155.66 36.5 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.784 2.322 . . . . 61.0 111.735 176.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.578 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 18.8 Cg_endo -57.36 147.03 79.94 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.862 2.375 . . . . 61.0 112.508 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 58' ' ' ARG . 94.0 mt -65.29 -24.71 67.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 61.0 111.512 -176.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.621 ' HA ' ' NH2' ' A' ' 31' ' ' ARG . 28.5 t70 -93.61 25.58 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.542 0.687 . . . . 61.0 110.738 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.578 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 88.7 m -81.49 104.56 12.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.17 -0.468 . . . . 61.0 109.901 173.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.621 ' NH2' ' HA ' ' A' ' 29' ' ' ASP . 2.1 tpp180 -110.19 161.18 15.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.033 -0.728 . . . . 61.0 109.033 175.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 4.1 tmt_? 75.63 -53.58 0.64 Allowed 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.667 0.605 . . . . 61.0 109.655 -177.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.4 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 86.8 m95 74.43 156.73 0.18 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 122.058 0.932 . . . . 61.0 113.275 172.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 32.3 m -134.63 164.71 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.621 -1.172 . . . . 61.0 108.661 173.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.59 82.31 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.278 0.473 . . . . 61.0 112.278 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -59.87 -40.34 88.29 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.979 0.362 . . . . 61.0 111.979 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -74.63 -36.27 62.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 61.0 110.354 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 34' ' ' VAL . 98.7 mttt -62.48 -43.56 98.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.97 -0.559 . . . . 61.0 110.187 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -58.63 -40.94 84.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.554 -0.748 . . . . 61.0 111.1 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.18 90.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 61.0 111.024 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.8 t -71.4 -47.54 58.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 61.0 111.191 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.572 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -68.12 -36.93 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.622 -0.263 . . . . 61.0 111.129 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.656 ' HD3' HD12 ' A' ' 14' ' ' LEU . 95.5 mttt -63.05 -37.21 86.29 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.091 -0.337 . . . . 61.0 110.091 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -59.03 -46.85 87.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 61.0 111.012 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.681 HG11 ' HG3' ' A' ' 52' ' ' GLU . 58.3 t -69.91 -43.87 79.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.514 -0.312 . . . . 61.0 111.354 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.21 -27.26 38.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.307 -0.406 . . . . 61.0 111.7 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -87.9 -7.95 56.46 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.73 -0.388 . . . . 61.0 111.175 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.93 9.98 61.83 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.62 -0.8 . . . . 61.0 112.756 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.47 HD22 ' HG ' ' A' ' 20' ' ' LEU . 49.5 tp -67.53 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.089 0.471 . . . . 61.0 110.371 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 31.6 pt -120.32 160.62 20.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.868 -0.606 . . . . 61.0 110.078 179.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.458 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 2.0 t -88.11 154.64 20.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.079 -0.51 . . . . 61.0 110.661 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.681 ' HG3' HG11 ' A' ' 45' ' ' VAL . 3.3 mt-10 -52.54 -42.96 64.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.851 -0.613 . . . . 61.0 110.871 176.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -64.1 -28.41 69.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.612 -0.722 . . . . 61.0 110.823 -177.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' A' ' 51' ' ' THR . 7.1 tp10 -68.18 -52.56 33.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 61.0 109.658 175.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.13 -44.27 92.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.887 -0.597 . . . . 61.0 111.406 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.575 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 41.2 mt -66.01 -33.58 76.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.94 -0.573 . . . . 61.0 111.049 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -78.34 -50.49 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.179 -0.464 . . . . 61.0 111.482 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HB2' HD22 ' A' ' 28' ' ' LEU . 10.7 ptm85 -71.39 -32.46 68.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.664 -0.698 . . . . 61.0 112.131 -172.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.543 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 41.4 m-85 -103.28 -2.07 27.76 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.744 -0.382 . . . . 61.0 111.734 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.5 m 60.77 71.51 0.56 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.516 0.674 . . . . 61.0 110.203 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 73.9 mt -127.26 152.92 46.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.379 -0.828 . . . . 61.0 110.502 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -97.7 161.91 13.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 61.0 109.52 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -58.11 -44.97 87.99 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.118 0.485 . . . . 61.0 110.545 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 9.9 pt-20 -61.16 -25.89 67.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.47 -0.786 . . . . 61.0 111.538 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.532 ' HG2' HD22 ' A' ' 61' ' ' LEU . 13.8 tp10 -70.19 -57.32 5.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.25 0.548 . . . . 61.0 109.529 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.75 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.79 -0.641 . . . . 61.0 110.597 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.23 -40.34 85.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.899 0.381 . . . . 61.0 110.589 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 96.9 mt -68.26 -45.36 73.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.968 -0.56 . . . . 61.0 110.237 177.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 25.3 m0 -54.94 -52.09 64.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.175 -0.466 . . . . 61.0 110.954 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.572 ' HA ' HG21 ' A' ' 42' ' ' VAL . 10.4 ptm180 -69.12 -22.58 63.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 61.0 111.537 -175.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.7 m -80.47 -42.86 21.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.699 0.285 . . . . 61.0 110.514 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.34 77.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 61.0 111.478 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.448 HG21 HG11 ' A' ' 42' ' ' VAL . 99.0 t . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.091 -0.504 . . . . 61.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 22' ' ' ARG . 12.5 ptm180 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.523 -0.547 . . . . 61.0 109.523 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.616 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.5 pt20 -154.73 135.84 13.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 61.0 110.729 175.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.6 m -119.9 147.5 23.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.77 -0.65 . . . . 61.0 110.343 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.6 m -90.75 122.38 33.45 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.281 -0.418 . . . . 61.0 110.634 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -64.27 155.96 77.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.631 -0.507 . . . . 61.0 109.631 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.68 -22.95 63.5 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.298 1.999 . . . . 61.0 111.918 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -70.12 -37.74 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.541 -0.754 . . . . 61.0 110.261 175.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.0 1.65 16.68 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.879 -0.888 . . . . 61.0 110.879 -170.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -75.05 165.36 25.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.606 0.362 . . . . 61.0 110.375 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.7 t -113.08 123.78 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.922 0.391 . . . . 61.0 110.944 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.644 ' HB2' HD21 ' A' ' 14' ' ' LEU . 52.5 tp -116.43 100.17 7.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.839 -0.619 . . . . 61.0 109.522 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.616 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 85.2 p -98.82 171.94 7.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.142 -0.481 . . . . 61.0 110.651 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 10' ' ' ARG . 52.4 mtt-85 -72.11 -1.93 16.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.895 -0.593 . . . . 61.0 110.367 175.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.05 -6.33 26.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.448 -0.796 . . . . 61.0 109.917 172.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.408 ' HB2' HD12 ' A' ' 20' ' ' LEU . 16.6 m-20 -93.75 -19.27 21.22 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.911 -0.586 . . . . 61.0 109.737 175.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.4 mt -55.17 132.88 68.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.703 -0.68 . . . . 61.0 110.064 173.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.36 147.22 95.29 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.294 1.996 . . . . 61.0 111.463 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.0 153.76 76.79 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.523 2.148 . . . . 61.0 112.267 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.54 -13.98 61.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.07 0.462 . . . . 61.0 110.343 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.75 -12.76 61.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.414 -0.812 . . . . 61.0 110.607 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.2 m -84.94 100.12 11.42 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.179 0.514 . . . . 61.0 111.24 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 14.0 tpt180 -104.23 -24.07 13.17 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.815 -0.63 . . . . 61.0 109.363 170.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 32' ' ' ARG . 1.7 ptt180 -80.67 71.21 7.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 122.045 0.926 . . . . 61.0 109.433 174.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -63.74 124.8 22.4 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.99 -1.005 . . . . 61.0 112.233 -175.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -106.57 169.83 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.24 -0.891 . . . . 61.0 109.208 172.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.67 76.61 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.026 0.38 . . . . 61.0 112.026 -175.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.4 t -59.67 -45.05 93.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.454 -0.339 . . . . 61.0 111.877 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -71.11 -35.36 71.75 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.829 -0.348 . . . . 61.0 110.697 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.18 -46.25 81.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.017 0.437 . . . . 61.0 110.246 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.0 81.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.327 -0.851 . . . . 61.0 111.246 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.48 -44.56 84.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.339 -0.391 . . . . 61.0 111.067 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.26 -51.11 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.498 -0.319 . . . . 61.0 111.636 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.42 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.7 p -66.32 -39.97 85.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 121.062 -0.255 . . . . 61.0 110.997 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -63.14 -33.43 75.45 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 110.064 -0.347 . . . . 61.0 110.064 176.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.421 ' HB1' HD23 ' A' ' 49' ' ' LEU . . . -62.49 -45.44 93.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 61.0 110.86 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 59.5 t -70.6 -41.38 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.235 -0.439 . . . . 61.0 110.743 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.56 -38.36 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.831 -0.622 . . . . 61.0 111.454 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -82.24 -25.06 34.46 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.033 -0.267 . . . . 61.0 111.503 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.51 5.13 30.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.341 -0.933 . . . . 61.0 113.091 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.531 HD22 ' HG ' ' A' ' 20' ' ' LEU . 44.1 tp -56.97 -57.47 12.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.306 0.574 . . . . 61.0 109.743 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 33.7 pt -126.03 162.69 29.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.47 -0.786 . . . . 61.0 109.296 176.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 54' ' ' GLU . 4.7 t -87.94 156.21 19.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.405 0.622 . . . . 61.0 110.515 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.506 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.7 tt0 -55.8 -42.74 76.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.21 -0.904 . . . . 61.0 110.412 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -68.24 -26.67 65.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.69 -0.687 . . . . 61.0 110.908 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 10.6 tp10 -67.63 -45.27 75.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.601 -0.518 . . . . 61.0 109.601 177.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.46 -46.77 75.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.857 -0.61 . . . . 61.0 110.64 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.523 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 68.6 mt -61.54 -32.83 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 61.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -72.93 -58.23 3.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.901 -0.59 . . . . 61.0 111.191 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.2 ptp180 -69.36 -40.97 77.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.098 -0.501 . . . . 61.0 111.993 -173.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -88.39 -0.42 57.16 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.841 -0.343 . . . . 61.0 111.3 -175.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 t 54.81 64.79 1.69 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.645 0.736 . . . . 61.0 109.657 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.523 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 91.1 mt -117.38 163.92 15.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.196 -0.911 . . . . 61.0 110.401 -178.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -114.26 162.61 16.35 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.785 -0.643 . . . . 61.0 109.619 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -62.84 -36.36 82.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.433 0.16 . . . . 61.0 111.433 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 12.9 pt-20 -60.22 -35.9 76.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 61.0 110.34 175.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.436 ' HG2' HD22 ' A' ' 61' ' ' LEU . 11.5 tp10 -71.56 -55.18 8.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.878 -0.601 . . . . 61.0 110.041 -179.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.429 ' HB2' HD21 ' A' ' 56' ' ' LEU . 59.0 t80 -62.71 -34.04 76.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 61.0 110.824 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.8 73.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.953 0.406 . . . . 61.0 110.541 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 94.2 mt -74.26 -37.67 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 61.0 109.93 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -58.81 -53.61 56.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.424 -0.353 . . . . 61.0 111.038 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.42 ' HA ' HG21 ' A' ' 42' ' ' VAL . 12.3 ptm180 -63.02 -32.26 73.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.662 -0.244 . . . . 61.0 111.346 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.1 m -76.64 -28.6 56.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.735 0.302 . . . . 61.0 111.591 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.11 -23.51 19.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.929 0.344 . . . . 61.0 111.929 -177.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 120.583 0.23 . . . . 61.0 111.333 -179.643 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 121.218 0.533 . . . . 99.99 109.798 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.564 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.7 pt20 -147.03 150.07 34.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.503 -0.771 . . . . 61.0 110.457 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.89 174.46 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.008 -0.542 . . . . 1.12 109.839 172.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 m -117.46 143.34 46.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.177 0.513 . . . . 3.43 111.01 -175.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -93.95 146.94 32.6 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.08 -0.509 . . . . 4.39 109.691 176.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.79 -9.07 15.08 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.566 2.177 . . . . 99.99 111.007 172.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.32 -17.46 54.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.68 -1.145 . . . . 82.61 110.447 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.0 3.84 56.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.928 -0.654 . . . . 11.6 111.887 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 19' ' ' VAL . 25.0 m -98.57 166.62 11.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.67 -0.265 . . . . 7.43 110.354 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.427 ' N ' HG22 ' A' ' 18' ' ' THR . 57.8 t -115.05 133.91 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.98 0.419 . . . . 3.07 110.638 -177.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.611 ' HB2' HD21 ' A' ' 14' ' ' LEU . 57.8 tp -119.56 105.05 10.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.102 -0.499 . . . . 1.62 110.229 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.564 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 67.5 p -100.48 169.42 9.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.205 -0.452 . . . . 61.0 109.856 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' CZ ' HG22 ' A' ' 50' ' ' ILE . 43.9 mtt-85 -70.94 -22.59 62.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.924 0.393 . . . . 49.81 111.237 -178.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.54 -14.27 43.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.26 -0.427 . . . . 5.99 110.648 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -82.95 -22.31 33.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 61.0 110.467 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 mt -49.47 145.52 7.76 Favored Pre-proline 0 N--CA 1.465 0.288 0 CA-C-N 115.664 -0.698 . . . . 1.59 111.438 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.66 158.83 18.7 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.205 2.603 . . . . 61.0 112.383 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.67 158.84 55.37 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.551 2.167 . . . . 3.49 112.581 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.1 mt -84.09 -4.35 58.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.398 0.618 . . . . 6.6 109.742 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.04 -19.5 47.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.329 -0.851 . . . . 76.96 111.425 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.2 m -72.83 117.85 15.04 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.16 -0.473 . . . . 12.33 111.878 -176.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -110.53 -42.93 3.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.954 -0.758 . . . . 99.99 108.954 171.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -80.19 78.61 6.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.82 -0.807 . . . . 99.99 108.82 173.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.7 m95 -64.45 150.94 45.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.083 -0.962 . . . . 5.29 112.604 -176.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.4 m -123.22 161.52 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.008 -0.996 . . . . 4.2 108.856 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.23 75.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.354 0.502 . . . . 2.44 112.354 -172.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 m -60.09 -41.57 92.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.332 . . . . 17.44 111.444 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -74.35 -36.52 63.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.767 0.318 . . . . 61.0 110.487 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -61.72 -44.65 96.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.534 . . . . 3.95 110.381 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.64 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.533 -0.758 . . . . 0.79 111.1 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.94 -47.67 82.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.3 -0.409 . . . . 0.95 111.169 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.35 -50.76 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.274 -0.421 . . . . 0.51 111.439 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.53 HG21 ' HA ' ' A' ' 70' ' ' ARG . 12.4 p -67.64 -37.43 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.318 -0.401 . . . . 0.65 111.316 -175.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.9 -30.75 70.17 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.642 0.258 . . . . 9.15 110.536 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -62.56 -43.36 98.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.46 110.107 177.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 62.4 t -70.75 -41.93 77.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 0.83 111.034 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.48 -33.41 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.328 -0.397 . . . . 61.0 111.477 -177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -86.32 -6.35 58.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 2.09 111.327 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.41 26.16 52.26 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.684 -0.77 . . . . 2.56 112.579 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 52.2 tp -76.3 -55.34 5.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.596 0.712 . . . . 61.0 109.181 175.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.476 HG22 ' CZ ' ' A' ' 22' ' ' ARG . 33.6 pt -121.89 164.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.798 -1.092 . . . . 0.96 108.518 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 54' ' ' GLU . 8.9 t -93.71 152.06 19.22 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 119.991 -0.684 . . . . 61.0 109.858 176.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.0 tt0 -51.55 -42.71 62.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.257 0.551 . . . . 23.17 110.871 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.455 ' HA ' HD12 ' A' ' 56' ' ' LEU . 13.0 mmm180 -69.64 -25.74 64.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.4 -0.818 . . . . 99.99 110.436 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 79.1 tt0 -72.96 -41.39 64.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.685 . . . . 37.36 109.643 178.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.48 92.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.796 -0.638 . . . . 1.04 110.313 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 67.8 mt -59.41 -38.39 80.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.674 -0.694 . . . . 1.54 110.778 177.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.83 -57.5 4.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 41.53 111.651 -177.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 10.3 ptp180 -69.57 -36.69 76.53 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.14 0.422 . . . . 42.98 112.14 -172.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -92.87 -2.08 56.18 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.967 -0.293 . . . . 2.26 111.154 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.3 t 55.83 67.14 1.05 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.683 0.614 . . . . 18.75 110.069 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.491 HD22 ' HG2' ' A' ' 65' ' ' GLU . 84.0 mt -125.39 148.31 48.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.523 -0.762 . . . . 3.0 110.145 -178.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.4 m -96.44 164.02 12.81 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.793 -0.447 . . . . 3.26 109.793 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.66 -36.95 84.51 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.455 0.169 . . . . 40.85 111.089 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 10.8 pt-20 -58.56 -21.69 53.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.492 -0.322 . . . . 35.08 111.063 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.491 ' HG2' HD22 ' A' ' 61' ' ' LEU . 10.6 tp10 -85.91 -60.77 1.92 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 21.57 109.815 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.16 -35.2 74.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.759 -0.655 . . . . 19.8 111.653 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.34 72.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.568 -0.287 . . . . 61.0 110.582 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 80.2 mt -74.94 -40.25 60.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.369 -0.378 . . . . 2.74 110.12 176.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -54.15 -53.14 57.47 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.98 -0.555 . . . . 1.15 110.736 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.53 ' HA ' HG21 ' A' ' 42' ' ' VAL . 15.5 ptm180 -66.08 -32.2 73.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 69.28 111.222 -178.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.8 m -71.99 -28.86 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 16.21 111.474 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.82 -40.58 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.242 0.46 . . . . 8.77 112.242 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.3 t . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 111.981 0.363 . . . . 6.73 111.981 -175.199 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 110.099 -0.334 . . . . 61.0 110.099 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -125.51 118.92 26.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.074 -0.343 . . . . 61.0 110.074 176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.2 tt 72.62 -58.18 0.6 Allowed 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.145 0.903 . . . . 61.0 110.654 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -86.19 82.73 7.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.931 0.396 . . . . 61.0 111.429 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -130.97 97.89 4.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.142 0.496 . . . . 61.0 110.059 171.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 34.0 t -91.37 87.52 2.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.45 -0.574 . . . . 61.0 109.45 176.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -89.05 -177.64 5.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 61.0 109.714 -178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' A' ' 48' ' ' GLY . . . 109.54 179.87 20.98 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.948 -0.644 . . . . 61.0 111.522 -176.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -73.23 159.5 47.06 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.728 2.285 . . . . 61.0 112.306 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -71.71 -27.27 62.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.359 0.599 . . . . 61.0 109.79 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.577 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.5 pt20 -147.38 130.85 16.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.466 -0.788 . . . . 61.0 110.185 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.4 m -109.54 167.18 4.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.84 -0.618 . . . . 61.0 110.415 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.4 m -107.11 145.15 32.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.506 -0.315 . . . . 61.0 110.281 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.757 HD21 ' HB2' ' A' ' 20' ' ' LEU . 2.9 mm? -98.32 156.8 35.38 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.899 -0.408 . . . . 61.0 109.899 177.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -68.78 -16.02 41.29 Favored 'Trans proline' 0 N--CA 1.464 -0.239 0 C-N-CA 122.037 1.825 . . . . 61.0 110.293 174.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.1 -25.05 63.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.616 -1.175 . . . . 61.0 110.431 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.14 2.03 51.4 Favored Glycine 0 N--CA 1.453 -0.175 0 N-CA-C 111.098 -0.801 . . . . 61.0 111.098 -173.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.513 ' HB ' HD23 ' A' ' 14' ' ' LEU . 6.4 m -86.04 164.38 17.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.086 -0.557 . . . . 61.0 110.498 -179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.7 t -111.1 132.69 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.589 -0.522 . . . . 61.0 109.589 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.757 ' HB2' HD21 ' A' ' 14' ' ' LEU . 61.4 tp -119.09 96.86 5.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.97 0.414 . . . . 61.0 110.026 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.577 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.6 p -87.99 173.1 9.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.142 -0.481 . . . . 61.0 109.972 178.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.422 ' HG3' HD11 ' A' ' 49' ' ' LEU . 78.2 mtt180 -75.36 -1.26 22.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.265 0.555 . . . . 61.0 110.1 176.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.38 -14.12 17.72 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.489 -0.778 . . . . 61.0 110.598 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' CB ' HD12 ' A' ' 20' ' ' LEU . 3.0 m-20 -78.99 -17.0 56.15 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.202 -0.453 . . . . 61.0 111.168 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.9 mt -54.19 137.21 58.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 61.0 111.06 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.16 157.63 33.99 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.23 2.62 . . . . 61.0 111.956 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.481 ' O ' HG22 ' A' ' 30' ' ' THR . 32.3 Cg_exo -58.6 152.33 56.44 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.76 2.307 . . . . 61.0 112.385 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -80.91 -24.4 38.27 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.193 -0.458 . . . . 61.0 110.341 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -80.78 -15.68 55.8 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.683 -0.689 . . . . 61.0 111.329 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 27' ' ' PRO . 3.7 t -72.9 137.68 45.76 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.248 0.546 . . . . 61.0 110.422 -175.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -124.99 -23.51 4.23 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.279 0.561 . . . . 61.0 109.596 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -74.27 80.47 1.83 Allowed 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.733 0.777 . . . . 61.0 109.05 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -78.92 97.75 6.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.065 -0.971 . . . . 61.0 112.167 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.9 m -78.56 165.84 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.621 -0.718 . . . . 61.0 109.973 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.02 77.96 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.041 0.386 . . . . 61.0 112.041 -175.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.5 m -64.54 -34.98 79.51 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.007 0.373 . . . . 61.0 112.007 -176.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -71.86 -39.45 69.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.829 0.347 . . . . 61.0 110.431 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -64.02 -41.58 97.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.059 -0.519 . . . . 61.0 109.974 174.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.7 -45.75 91.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.635 -0.711 . . . . 61.0 111.206 178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.4 -42.01 81.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 61.0 111.317 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.14 -49.38 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 61.0 111.39 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.543 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.6 p -67.93 -38.84 80.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.888 -0.325 . . . . 61.0 111.212 -176.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.8 mttt -62.93 -33.99 76.52 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.729 0.299 . . . . 61.0 110.233 177.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.31 -47.42 86.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.038 -0.528 . . . . 61.0 110.675 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.4 t -65.6 -45.58 91.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.157 -0.474 . . . . 61.0 110.833 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 42' ' ' VAL . 83.5 mt -61.38 -40.37 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.912 -0.585 . . . . 61.0 111.527 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -84.94 -1.95 57.3 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.903 0.334 . . . . 61.0 111.903 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.428 ' O ' ' HA3' ' A' ' 8' ' ' GLY . . . 80.73 22.35 62.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.552 -0.832 . . . . 61.0 112.595 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.516 HD22 ' HG ' ' A' ' 20' ' ' LEU . 35.7 tp -73.42 -46.39 48.9 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.15 -0.685 . . . . 61.0 109.15 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.1 pt -133.73 -179.59 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.825 -1.08 . . . . 61.0 108.647 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.6 t -109.29 155.48 21.1 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.322 -0.551 . . . . 61.0 110.265 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.7 tt0 -54.38 -43.89 71.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.065 -176.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.436 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 9.0 mmt180 -70.04 -20.09 63.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.306 -0.406 . . . . 61.0 111.975 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 4.6 tp10 -78.28 -37.29 45.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.15 0.5 . . . . 61.0 109.81 177.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.23 -47.83 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.806 -0.634 . . . . 61.0 110.471 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 66' ' ' PHE . 53.1 mt -61.11 -34.69 75.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.734 -0.666 . . . . 61.0 110.443 178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -67.84 -54.48 18.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.323 -0.853 . . . . 61.0 111.544 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.7 ptp180 -77.07 -32.48 56.8 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.493 0.553 . . . . 61.0 112.493 -171.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -97.27 1.89 50.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.808 -0.357 . . . . 61.0 111.336 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 16.4 m 57.69 66.24 1.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.289 0.566 . . . . 61.0 110.603 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.502 HD22 ' HG2' ' A' ' 65' ' ' GLU . 62.4 mt -125.76 164.14 21.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.791 -0.641 . . . . 61.0 111.115 -176.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 18.4 m -103.72 162.19 13.29 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.117 -0.697 . . . . 61.0 109.117 172.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -67.27 -34.8 78.18 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 120.817 0.342 . . . . 61.0 110.694 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.77 -29.46 70.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.002 0.429 . . . . 61.0 110.653 176.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.502 ' HG2' HD22 ' A' ' 61' ' ' LEU . 19.1 tp10 -67.18 -51.65 50.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.761 -0.654 . . . . 61.0 109.349 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.559 ' HB2' HD21 ' A' ' 56' ' ' LEU . 57.5 t80 -60.59 -33.13 72.29 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.608 -0.724 . . . . 61.0 110.503 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -38.37 82.06 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.096 -0.502 . . . . 61.0 110.537 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.47 -44.92 77.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.09 -0.505 . . . . 61.0 110.051 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -56.64 -53.31 59.18 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.963 -0.562 . . . . 61.0 111.287 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.543 ' HA ' HG21 ' A' ' 42' ' ' VAL . 15.4 ptt180 -66.02 -27.79 68.38 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.062 -0.255 . . . . 61.0 111.468 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.2 m -79.8 -28.62 40.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.536 0.208 . . . . 61.0 111.212 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -88.19 -15.82 34.97 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.721 0.267 . . . . 61.0 111.721 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 65.7 t -115.89 -67.97 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.793 0.33 . . . . 61.0 111.722 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.25 -37.61 69.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.355 0.502 . . . . 61.0 112.355 -169.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.543 ' HB2' HD13 ' A' ' 92' ' ' LEU . . . -117.82 22.01 12.56 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.475 -0.33 . . . . 61.0 111.737 -174.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -84.24 -8.88 58.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.266 0.555 . . . . 61.0 110.283 -178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.31 47.09 3.27 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.741 -0.743 . . . . 61.0 111.849 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -86.3 17.54 3.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.956 0.408 . . . . 61.0 111.042 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -62.88 -45.3 93.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.835 -0.62 . . . . 61.0 109.468 174.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.84 130.44 16.88 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.236 -0.893 . . . . 61.0 109.739 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.1 mp -76.98 85.87 3.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.399 0.619 . . . . 61.0 110.188 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -55.9 153.1 9.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.017 -0.992 . . . . 61.0 109.272 173.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.9 p -53.78 -31.42 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.192 0.52 . . . . 61.0 111.23 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.5 m -84.83 -13.76 50.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.387 0.613 . . . . 61.0 111.15 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.524 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 58.4 tpp -74.11 -25.17 59.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.524 . . . . 61.0 110.616 -176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.495 HD12 ' H ' ' A' ' 86' ' ' ILE . 4.9 mp -66.29 -36.6 77.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.52 -0.548 . . . . 61.0 109.52 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -61.05 -37.53 82.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.058 -0.519 . . . . 61.0 109.848 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 85' ' ' MET . 30.3 mmtp -53.72 -53.53 50.83 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.696 -0.684 . . . . 61.0 109.97 174.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.429 ' HE1' ' HB1' ' A' ' 75' ' ' ALA . 29.1 m-85 -74.18 -11.51 60.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.82 -0.627 . . . . 61.0 112.001 -175.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 86' ' ' ILE . 92.7 mtt180 -81.9 -36.48 28.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.749 0.309 . . . . 61.0 110.633 177.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -94.89 -35.42 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.326 -0.397 . . . . 61.0 110.621 -178.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 75' ' ' ALA . 7.1 tt -77.58 122.43 25.27 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.791 -0.818 . . . . 61.0 108.791 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -103.0 119.56 39.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.913 0.387 . . . . 61.0 111.298 -176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 73.68 88.22 0.1 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.891 -1.049 . . . . 61.0 111.765 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.8 t60 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.346 -0.835 . . . . 61.0 109.484 173.37 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.587 ' HB3' HD23 ' A' ' 3' ' ' LEU . 65.4 mtt . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.332 0.111 . . . . 61.0 111.092 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 67.74 -87.47 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 122.748 0.419 . . . . 61.0 110.039 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.587 HD23 ' HB3' ' A' ' 1' ' ' MET . 3.7 mm? 51.46 66.16 1.27 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.014 0.525 . . . . 61.0 112.181 -177.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.64 34.75 2.68 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.936 -0.765 . . . . 61.0 108.936 171.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -78.31 101.73 7.33 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.569 -0.741 . . . . 61.0 111.717 -173.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.9 -24.07 5.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 107.867 -1.16 . . . . 61.0 107.867 168.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 t70 65.52 83.59 0.17 Allowed 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 113.943 -1.481 . . . . 61.0 111.074 177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.75 -178.42 18.39 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.654 -0.703 . . . . 61.0 112.083 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.406 ' O ' ' HD2' ' A' ' 22' ' ' ARG . 8.9 Cg_exo -71.82 171.47 16.47 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.882 2.388 . . . . 61.0 111.889 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -100.32 -19.58 16.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.213 -0.449 . . . . 61.0 111.24 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.584 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.1 pt20 -148.7 145.15 27.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 61.0 110.92 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 m -131.45 160.05 42.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.043 -0.526 . . . . 61.0 110.719 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 m -91.68 144.36 25.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.13 -0.486 . . . . 61.0 110.634 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.5 mm? -100.96 157.91 32.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.404 -0.362 . . . . 61.0 110.342 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.43 -17.91 43.89 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.238 1.959 . . . . 61.0 110.146 171.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -77.95 -10.31 59.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.517 -1.22 . . . . 61.0 110.075 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.5 0.34 73.12 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 115.97 -0.559 . . . . 61.0 112.425 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.89 173.24 10.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.788 0.328 . . . . 61.0 111.224 -177.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.1 t -117.13 124.43 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 61.0 109.787 174.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.614 ' HB2' HD21 ' A' ' 14' ' ' LEU . 34.1 tp -112.26 106.47 15.04 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.128 -0.487 . . . . 61.0 110.002 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.584 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 78.5 p -96.15 169.53 9.89 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.034 -0.728 . . . . 61.0 109.034 175.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.458 HH11 ' HD2' ' A' ' 22' ' ' ARG . 14.1 mtp180 -68.94 -14.59 63.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.322 0.582 . . . . 61.0 110.173 178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -85.93 -18.22 33.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.688 -0.687 . . . . 61.0 110.57 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.515 ' HB2' HD12 ' A' ' 20' ' ' LEU . 9.8 m-20 -81.1 -11.9 59.38 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.156 -0.474 . . . . 61.0 110.625 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 66.4 mt -60.62 139.89 92.77 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.843 -0.617 . . . . 61.0 110.794 177.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.99 157.65 28.3 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.347 2.698 . . . . 61.0 112.76 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.585 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 20.6 Cg_endo -59.74 140.89 95.59 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.033 2.488 . . . . 61.0 112.601 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.35 -28.7 69.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.517 -0.765 . . . . 61.0 111.659 -177.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -84.15 13.85 4.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.403 0.62 . . . . 61.0 111.066 -175.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.585 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 63.4 m -78.84 114.46 17.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.171 0.51 . . . . 61.0 110.372 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -111.37 -43.0 3.77 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.807 -0.812 . . . . 61.0 108.807 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -81.03 73.48 8.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.887 0.851 . . . . 61.0 109.788 174.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -65.85 136.88 56.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.663 -1.153 . . . . 61.0 112.296 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.3 m -104.76 168.56 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.593 -0.73 . . . . 61.0 109.261 171.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.92 82.37 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.112 0.412 . . . . 61.0 112.112 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.0 m -60.9 -39.59 89.91 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.894 0.331 . . . . 61.0 111.894 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -71.66 -39.03 70.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.621 0.248 . . . . 61.0 110.648 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -62.55 -45.34 93.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.926 0.393 . . . . 61.0 110.495 176.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.09 -43.9 87.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.604 -0.726 . . . . 61.0 111.408 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.78 -42.51 84.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.399 -0.364 . . . . 61.0 111.325 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.4 t -69.14 -50.91 48.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.347 -0.388 . . . . 61.0 111.396 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 p -65.34 -37.07 79.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.621 -0.263 . . . . 61.0 110.917 -177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.694 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.7 mttt -63.81 -39.26 93.8 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.552 0.215 . . . . 61.0 110.518 176.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.496 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -58.12 -46.45 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 61.0 110.707 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.37 -48.08 78.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.06 -0.518 . . . . 61.0 111.258 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.06 -31.39 53.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 116.019 -0.537 . . . . 61.0 111.994 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -83.68 -17.63 40.77 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.845 -0.342 . . . . 61.0 111.348 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.73 16.96 32.09 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.49 -0.862 . . . . 61.0 112.987 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.6 tp -72.28 -53.75 11.54 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.471 -0.566 . . . . 61.0 109.471 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 42.9 pt -124.85 173.81 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.296 -0.866 . . . . 61.0 109.219 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.505 HG23 ' H ' ' A' ' 54' ' ' GLU . 2.7 t -99.28 151.03 21.5 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.288 0.566 . . . . 61.0 111.076 177.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.513 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 29.6 tt0 -54.08 -40.41 67.19 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.734 -1.121 . . . . 61.0 110.402 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -64.75 -35.82 82.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.071 -0.968 . . . . 61.0 110.793 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 28.1 tt0 -68.11 -48.33 65.75 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.998 -0.546 . . . . 61.0 109.876 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.27 -44.57 71.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.56 . . . . 61.0 111.051 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.557 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 24.3 mt -62.39 -46.16 89.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.001 -0.545 . . . . 61.0 110.656 178.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -67.98 -49.69 60.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.863 -0.608 . . . . 61.0 111.513 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 14.9 ptm180 -73.04 -30.37 63.69 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.476 0.547 . . . . 61.0 112.476 -173.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.559 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 47.5 m-85 -104.84 5.11 32.83 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.708 -0.397 . . . . 61.0 111.646 -177.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.6 m 63.28 30.16 15.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.363 0.602 . . . . 61.0 110.651 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 65.1 mt -87.48 145.57 26.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.859 -0.609 . . . . 61.0 110.471 -176.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 35.5 m -90.54 162.34 15.07 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.497 -0.557 . . . . 61.0 109.497 173.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -63.42 -38.39 90.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.371 -0.377 . . . . 61.0 110.758 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.59 -26.21 64.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 116.331 -0.395 . . . . 61.0 111.247 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' A' ' 62' ' ' SER . 6.9 tp10 -65.46 -58.15 6.54 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.36 -0.608 . . . . 61.0 109.36 175.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -60.82 -29.96 69.8 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.766 -0.652 . . . . 61.0 110.594 -179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.68 83.44 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.144 -0.48 . . . . 61.0 110.911 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.18 -41.41 70.37 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.458 -0.337 . . . . 61.0 110.369 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.9 m0 -55.39 -53.39 56.87 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.8 -0.636 . . . . 61.0 110.351 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.475 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 12.3 ptm180 -71.31 -19.5 62.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.788 -0.642 . . . . 61.0 111.01 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.8 t -70.32 -40.15 74.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.996 0.427 . . . . 61.0 109.94 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.42 -45.52 13.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.029 -0.532 . . . . 61.0 111.568 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.81 -49.84 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 112.073 0.397 . . . . 61.0 112.073 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -80.71 19.4 0.83 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.927 0.394 . . . . 61.0 111.329 -175.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.52 12.56 4.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.605 0.717 . . . . 61.0 109.53 173.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -77.88 108.01 10.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.117 -0.947 . . . . 61.0 110.814 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -112.89 101.92 1.24 Allowed Glycine 0 N--CA 1.445 -0.75 0 N-CA-C 111.383 -0.687 . . . . 61.0 111.383 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.518 ' OE1' ' HG2' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -88.12 -25.58 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.157 0.503 . . . . 61.0 109.907 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.518 ' HG2' ' OE1' ' A' ' 78' ' ' GLU . 12.8 pttm -93.26 -58.27 2.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.502 -0.772 . . . . 61.0 111.033 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -173.82 156.13 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.862 -0.421 . . . . 61.0 109.862 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.25 83.81 1.86 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.219 0.533 . . . . 61.0 110.338 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.583 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 87.3 tttt -100.65 159.13 15.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.022 -0.99 . . . . 61.0 109.268 178.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.532 ' HA ' HD12 ' A' ' 86' ' ' ILE . 9.1 p -49.66 -38.4 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 112.206 0.447 . . . . 61.0 112.206 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.2 m -75.45 -33.27 60.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.173 0.511 . . . . 61.0 111.335 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.583 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 0.8 OUTLIER -71.47 -30.2 65.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.019 -0.537 . . . . 61.0 111.599 -174.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 83' ' ' VAL . 3.0 mt -55.23 -44.37 74.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.583 0.23 . . . . 61.0 111.229 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -67.23 -30.24 70.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.762 0.315 . . . . 61.0 110.526 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 92' ' ' LEU . 29.8 mtpp -74.36 -17.57 60.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.422 -0.354 . . . . 61.0 110.954 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -93.86 -45.1 7.79 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.11 -0.329 . . . . 61.0 110.11 176.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.412 ' HA ' ' HB1' ' A' ' 74' ' ' ALA . 27.0 mmt180 -62.02 -43.95 97.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.299 0.571 . . . . 61.0 110.597 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.48 58.51 0.76 Allowed 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.268 -1.012 . . . . 61.0 108.268 178.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 88' ' ' LYS . 0.5 OUTLIER -63.4 100.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.286 -0.87 . . . . 61.0 111.062 -177.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -102.99 -44.0 5.35 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.825 -0.625 . . . . 61.0 109.339 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -166.79 147.11 5.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.53 -0.759 . . . . 61.0 109.11 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.053 -0.975 . . . . 61.0 111.169 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.754 0.311 . . . . 61.0 110.62 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -128.19 4.48 5.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.969 -0.56 . . . . 61.0 110.391 176.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.9 mt -81.31 -64.54 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.964 0.411 . . . . 61.0 110.522 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -104.16 13.93 31.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.994 -0.548 . . . . 61.0 111.132 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -142.37 100.58 3.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.09 0.471 . . . . 61.0 110.784 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.5 t -98.56 102.01 12.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.266 -0.642 . . . . 61.0 109.266 173.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -59.28 138.3 57.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.791 -0.64 . . . . 61.0 109.806 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.68 137.25 43.34 Favored Glycine 0 N--CA 1.452 -0.243 0 CA-C-N 115.946 -0.57 . . . . 61.0 112.204 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HG2' ' O ' ' A' ' 48' ' ' GLY . 75.7 Cg_exo -48.05 128.46 16.72 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.883 2.388 . . . . 61.0 111.963 -176.428 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' HA ' ' CD ' ' A' ' 22' ' ' ARG . 97.0 mtt180 -98.58 -15.32 19.54 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.816 -0.629 . . . . 61.0 110.961 -173.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.484 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 14.0 pt20 -164.01 142.29 7.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 61.0 110.707 175.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 20' ' ' LEU . 15.9 m -129.85 162.44 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.791 -0.64 . . . . 61.0 110.087 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.3 m -95.74 136.24 36.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.846 0.355 . . . . 61.0 111.011 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.0 mm? -85.52 161.47 51.13 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.306 -0.406 . . . . 61.0 109.966 176.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.735 ' HA ' ' HB ' ' A' ' 84' ' ' THR . 14.3 Cg_exo -68.88 -16.84 41.65 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.218 1.946 . . . . 61.0 110.127 172.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -73.38 -17.94 61.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.302 -1.317 . . . . 61.0 110.258 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.41 -5.48 67.65 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.337 -0.705 . . . . 61.0 111.337 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.513 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.4 m -78.69 168.89 19.08 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.339 -0.43 . . . . 61.0 110.636 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.5 t -108.55 131.68 58.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.936 0.398 . . . . 61.0 110.125 176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.795 ' HB2' HD21 ' A' ' 14' ' ' LEU . 63.2 tp -113.11 97.21 6.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.044 -0.526 . . . . 61.0 110.251 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 97.1 p -88.24 173.02 9.03 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.737 -0.468 . . . . 61.0 109.737 177.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CD ' ' HA ' ' A' ' 10' ' ' ARG . 74.2 mtp85 -70.42 -11.29 60.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.033 0.445 . . . . 61.0 110.682 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.15 -4.8 34.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.674 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.43 ' CB ' HD12 ' A' ' 20' ' ' LEU . 3.6 m-20 -83.82 -15.6 47.72 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.268 -0.423 . . . . 61.0 110.575 177.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.42 141.02 88.18 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-N 116.092 -0.504 . . . . 61.0 110.405 175.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.32 146.08 93.33 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.776 2.317 . . . . 61.0 111.87 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.46 154.38 59.6 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 123.014 2.476 . . . . 61.0 112.615 -178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 87.3 mt -70.62 -9.15 56.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 61.0 111.068 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -83.7 -8.51 59.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 61.0 110.689 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.5 m -79.19 101.25 7.85 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.148 -0.478 . . . . 61.0 111.071 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.89 -32.82 9.58 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.78 -0.822 . . . . 61.0 108.78 171.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.86 80.63 4.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.54 -0.911 . . . . 61.0 108.54 173.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -74.59 118.76 17.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.109 -0.951 . . . . 61.0 112.585 -175.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -96.52 162.92 2.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.764 -0.653 . . . . 61.0 109.377 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.02 -42.04 75.88 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.374 0.509 . . . . 61.0 112.374 -175.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.0 p -62.43 -43.8 97.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.644 0.239 . . . . 61.0 111.644 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -70.62 -35.57 73.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.661 0.267 . . . . 61.0 110.474 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -62.78 -43.96 97.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 61.0 110.304 174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HA ' HG21 ' A' ' 73' ' ' VAL . . . -58.69 -42.94 89.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.541 -0.754 . . . . 61.0 111.089 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.29 -43.03 82.8 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.438 -0.347 . . . . 61.0 111.057 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 78.0 t -66.13 -51.61 57.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.048 -0.524 . . . . 61.0 111.326 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.56 HG21 ' HA ' ' A' ' 70' ' ' ARG . 12.4 p -69.38 -35.84 69.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.346 -0.388 . . . . 61.0 111.431 -175.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.784 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.4 mttt -62.22 -34.34 76.28 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.879 0.371 . . . . 61.0 110.052 176.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.46 95.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.551 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 67.0 t -67.33 -42.52 87.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.966 0.412 . . . . 61.0 110.706 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.09 -39.23 82.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 61.0 111.607 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.514 ' NE2' ' HD3' ' A' ' 15' ' ' PRO . 83.3 m-70 -83.15 -15.27 51.3 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.782 -0.367 . . . . 61.0 111.523 -179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.445 ' O ' ' HG2' ' A' ' 9' ' ' PRO . . . 93.55 24.75 20.3 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.384 -0.912 . . . . 61.0 113.018 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.489 HD22 ' HG ' ' A' ' 20' ' ' LEU . 44.2 tp -75.64 -46.38 31.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.118 -0.697 . . . . 61.0 109.118 175.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.449 ' HB ' ' HG2' ' A' ' 54' ' ' GLU . 39.1 pt -132.32 168.98 22.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.916 -1.038 . . . . 61.0 109.09 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.558 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 5.2 t -95.82 157.84 15.72 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.035 0.445 . . . . 61.0 110.359 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 33.2 tt0 -57.36 -40.98 79.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.915 -0.584 . . . . 61.0 110.723 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -69.66 -22.55 63.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.534 . . . . 61.0 110.993 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 6.2 tp10 -68.61 -48.24 64.61 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.108 -0.701 . . . . 61.0 109.108 173.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.33 -45.81 86.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.38 -0.827 . . . . 61.0 111.002 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.537 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 62.0 mt -63.33 -31.05 72.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 61.0 110.827 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -79.51 -60.3 2.41 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.096 -0.502 . . . . 61.0 111.225 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm85 -64.3 -30.51 71.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 61.0 111.986 -173.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -104.02 3.17 33.07 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.684 -0.406 . . . . 61.0 110.993 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.0 m 55.32 52.48 11.37 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.316 0.579 . . . . 61.0 110.742 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 73.6 mt -105.98 148.65 27.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.694 -0.685 . . . . 61.0 110.326 -177.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.6 m -92.51 160.99 14.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.144 -0.48 . . . . 61.0 109.761 175.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -62.24 -35.75 79.9 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.017 0.437 . . . . 61.0 110.444 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.88 -36.13 74.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.689 -0.687 . . . . 61.0 111.323 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -73.51 -52.92 11.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 61.0 110.229 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -61.97 -30.62 71.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.309 -0.405 . . . . 61.0 110.966 -177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.85 -41.78 87.81 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.953 0.406 . . . . 61.0 110.312 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 80.3 mt -66.92 -45.58 77.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.769 -0.651 . . . . 61.0 110.049 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -52.42 -56.71 13.16 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.818 -0.628 . . . . 61.0 111.315 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.56 ' HA ' HG21 ' A' ' 42' ' ' VAL . 4.6 ptm180 -64.67 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.225 -0.443 . . . . 61.0 111.448 -175.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.5 m -74.93 -31.47 61.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.663 0.268 . . . . 61.0 111.087 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.26 -45.47 16.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.714 0.292 . . . . 61.0 111.326 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.474 HG21 ' HA ' ' A' ' 39' ' ' ALA . 67.6 t -73.19 -36.41 49.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.379 -0.373 . . . . 61.0 111.765 -175.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.461 ' HA ' ' HE2' ' A' ' 88' ' ' LYS . . . -69.1 -31.93 70.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.822 0.344 . . . . 61.0 110.645 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.7 -18.44 54.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.949 -0.569 . . . . 61.0 110.778 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -65.91 129.0 38.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.078 -0.51 . . . . 61.0 109.697 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.58 35.76 59.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.806 -0.712 . . . . 61.0 112.023 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.623 ' HG3' ' HG3' ' A' ' 79' ' ' LYS . 5.1 pt-20 -54.55 -29.25 50.45 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 123.155 0.582 . . . . 61.0 112.534 -178.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.623 ' HG3' ' HG3' ' A' ' 78' ' ' GLU . 48.9 mttm -94.22 7.38 45.52 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.956 0.408 . . . . 61.0 110.975 -172.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.12 113.86 27.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.1 -0.5 . . . . 61.0 109.711 175.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.1 mp -112.58 66.55 0.65 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.205 0.526 . . . . 61.0 110.838 -178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -82.22 161.75 22.61 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.748 -0.834 . . . . 61.0 108.748 174.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.0 p -52.6 -29.03 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 N-CA-C 112.499 0.555 . . . . 61.0 112.499 -178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.735 ' HB ' ' HA ' ' A' ' 15' ' ' PRO . 1.4 m -93.98 2.94 55.99 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.09 0.471 . . . . 61.0 111.534 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 17.6 mmt -92.97 -23.88 18.56 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.086 -0.384 . . . . 61.0 111.918 -176.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.495 HD12 ' H ' ' A' ' 86' ' ' ILE . 4.6 mp -61.37 -41.24 89.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.657 -0.247 . . . . 61.0 111.303 -173.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -57.34 -32.26 66.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.969 0.414 . . . . 61.0 110.751 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 74' ' ' ALA . 7.2 mtpm? -61.84 -35.67 78.94 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.266 -0.424 . . . . 61.0 110.895 177.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -90.79 -9.04 47.98 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.058 -0.519 . . . . 61.0 110.913 -175.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 9.3 mmt180 -98.94 -25.34 14.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.169 -0.468 . . . . 61.0 111.142 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -91.12 -20.97 21.44 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.062 -0.718 . . . . 61.0 109.062 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 tt -74.29 79.9 1.84 Allowed 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.726 -1.213 . . . . 61.0 107.726 169.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -169.17 79.34 0.12 Allowed 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.381 -1.281 . . . . 61.0 108.424 -175.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.9 p80 47.83 -174.87 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.395 1.078 . . . . 61.0 112.088 -170.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 . . . . . 0 C--O 1.243 0.742 0 CA-C-O 118.61 -0.709 . . . . 61.0 109.352 178.279 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttt . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.809 0.337 . . . . 61.0 110.218 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -87.13 145.78 26.3 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.401 -0.592 . . . . 61.0 109.401 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 3' ' ' LEU . 1.5 tm? -72.11 85.05 1.02 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.469 -0.567 . . . . 61.0 109.469 179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -103.74 88.07 2.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.435 0.636 . . . . 61.0 109.535 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -159.08 159.32 34.46 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.299 -1.0 . . . . 61.0 108.299 -177.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 63.0 t -72.61 94.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.303 0.573 . . . . 61.0 109.672 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -99.7 91.84 5.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.592 -0.731 . . . . 61.0 109.352 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.09 -153.67 20.67 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.545 -0.836 . . . . 61.0 112.349 -177.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -74.95 143.45 29.27 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.776 2.317 . . . . 61.0 111.607 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 21' ' ' SER . 8.0 mpt_? -91.11 -16.1 28.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.607 -0.27 . . . . 61.0 110.627 176.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.501 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.7 pt20 -144.16 144.62 31.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.885 0.374 . . . . 61.0 111.07 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.44 HG23 ' HB3' ' A' ' 20' ' ' LEU . 18.2 m -133.52 175.35 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.748 -0.66 . . . . 61.0 109.49 172.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.0 m -109.38 144.61 37.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.923 0.392 . . . . 61.0 111.03 -177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.763 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -94.55 156.86 38.03 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.217 -0.447 . . . . 61.0 110.234 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.839 ' HB3' HG21 ' A' ' 84' ' ' THR . 15.3 Cg_exo -69.22 -4.82 14.43 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.754 2.303 . . . . 61.0 110.476 172.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -96.18 -0.97 49.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.695 -1.139 . . . . 61.0 110.192 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.9 2.84 77.63 Favored Glycine 0 C--N 1.335 0.48 0 C-N-CA 121.11 -0.567 . . . . 61.0 112.771 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.575 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.9 m -92.02 168.24 11.53 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 122.879 -0.189 . . . . 61.0 110.974 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 96.4 t -108.22 128.82 63.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 109.861 -0.422 . . . . 61.0 109.861 175.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.763 ' HB2' HD21 ' A' ' 14' ' ' LEU . 61.9 tp -110.71 106.39 15.59 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.066 -0.516 . . . . 61.0 109.881 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 91.9 p -95.3 166.65 11.79 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.435 -0.579 . . . . 61.0 109.435 177.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.517 ' NH1' HG22 ' A' ' 50' ' ' ILE . 60.5 mtp85 -73.19 -2.39 21.51 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.062 0.458 . . . . 61.0 110.325 178.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.95 -16.68 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.531 -0.759 . . . . 61.0 110.471 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB2' HD12 ' A' ' 20' ' ' LEU . 24.8 m-20 -79.86 -11.98 59.78 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.257 -0.429 . . . . 61.0 110.674 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.4 HD11 HG21 ' A' ' 50' ' ' ILE . 81.1 mt -59.23 130.24 86.93 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 61.0 110.327 177.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -55.12 156.17 17.04 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.544 2.829 . . . . 61.0 112.648 -179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 22.0 Cg_endo -61.44 156.41 46.77 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.121 2.548 . . . . 61.0 112.525 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -81.58 1.32 34.29 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.017 -0.538 . . . . 61.0 110.601 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -95.9 -0.18 51.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 61.0 110.499 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 87.6 m -85.09 124.0 31.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.993 -0.549 . . . . 61.0 111.79 -175.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' A' ' 31' ' ' ARG . 2.1 mmt180 -126.16 -22.53 4.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.046 -0.524 . . . . 61.0 110.285 167.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -78.81 69.47 4.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.857 0.837 . . . . 61.0 108.873 169.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -72.71 106.95 4.92 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.976 -1.011 . . . . 61.0 112.059 -173.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -80.59 166.21 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.514 -0.55 . . . . 61.0 109.514 171.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.21 -38.45 79.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 123.122 0.264 . . . . 61.0 111.241 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -57.15 -45.71 83.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.92 -0.582 . . . . 61.0 111.488 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -75.82 -38.39 58.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.155 -0.475 . . . . 61.0 110.775 -176.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -62.27 -44.2 97.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 61.0 110.195 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.45 ' HA ' HG21 ' A' ' 73' ' ' VAL . . . -59.01 -44.17 91.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.681 -0.691 . . . . 61.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 -42.9 80.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.409 -0.359 . . . . 61.0 111.327 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.97 -53.62 28.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.395 -0.366 . . . . 61.0 111.309 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.417 HG11 ' HB ' ' A' ' 73' ' ' VAL . 13.7 p -67.1 -37.6 79.58 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 116.37 -0.377 . . . . 61.0 111.236 -175.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.673 ' HD3' HD12 ' A' ' 14' ' ' LEU . 96.9 mttt -65.98 -30.12 70.62 Favored 'General case' 0 CA--C 1.523 -0.09 0 O-C-N 122.309 -0.245 . . . . 61.0 110.484 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.22 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 61.0 110.499 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.441 HG22 HG13 ' A' ' 50' ' ' ILE . 53.5 t -71.64 -39.71 69.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.019 0.438 . . . . 61.0 110.663 178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.64 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 84.9 mt -70.25 -32.91 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.896 -0.593 . . . . 61.0 111.976 -176.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.484 ' NE2' ' HD3' ' A' ' 15' ' ' PRO . 84.3 m-70 -90.69 -1.15 57.88 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 121.995 -0.441 . . . . 61.0 111.92 -178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.07 37.33 22.23 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.55 -0.833 . . . . 61.0 112.62 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.404 HD11 ' HG3' ' A' ' 22' ' ' ARG . 40.7 tp -95.87 -45.54 6.92 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.484 0.659 . . . . 61.0 109.661 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.517 HG22 ' NH1' ' A' ' 22' ' ' ARG . 34.0 pt -132.35 173.85 14.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.093 -0.958 . . . . 61.0 109.154 175.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 54' ' ' GLU . 6.4 t -105.28 155.15 19.35 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.118 -0.327 . . . . 61.0 110.118 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 19.9 tt0 -54.28 -43.32 70.94 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.038 0.446 . . . . 61.0 110.571 -177.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 53' ' ' ARG . 33.7 mmt180 -66.68 -27.34 67.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.859 -0.61 . . . . 61.0 111.734 -177.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' H ' HG23 ' A' ' 51' ' ' THR . 26.1 tt0 -73.8 -39.9 63.77 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.387 -0.597 . . . . 61.0 109.387 177.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.33 -47.74 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.699 -0.682 . . . . 61.0 110.171 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 65.6 mt -63.46 -37.17 86.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.478 -0.783 . . . . 61.0 110.815 178.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -69.59 -56.17 8.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.966 -0.561 . . . . 61.0 111.769 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 7.5 ptp180 -69.77 -22.91 63.31 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.264 0.468 . . . . 61.0 112.264 -172.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.55 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 62.2 m-85 -107.94 -0.31 21.48 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.712 -0.395 . . . . 61.0 112.014 -177.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.9 t 60.6 46.56 9.25 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.671 0.748 . . . . 61.0 109.888 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.61 HD22 ' HG2' ' A' ' 65' ' ' GLU . 41.6 mt -102.38 160.26 14.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.517 -0.765 . . . . 61.0 110.027 -178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.422 ' HB2' ' HG2' ' A' ' 64' ' ' GLU . 15.2 m -116.88 170.95 8.22 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.645 -0.502 . . . . 61.0 109.645 176.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -54.15 -42.58 69.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.426 0.155 . . . . 61.0 111.348 178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 8.5 pt-20 -51.56 -36.39 44.99 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.158 -0.473 . . . . 61.0 111.624 177.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.61 ' HG2' HD22 ' A' ' 61' ' ' LEU . 7.3 tp10 -74.73 -62.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.735 -0.666 . . . . 61.0 110.184 -176.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.518 ' HB2' HD21 ' A' ' 56' ' ' LEU . 42.5 t80 -61.95 -32.54 72.97 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.759 -0.655 . . . . 61.0 111.502 -173.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.53 -36.68 81.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.742 0.306 . . . . 61.0 110.851 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.39 -37.56 60.47 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.137 -0.483 . . . . 61.0 110.323 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -57.02 -48.65 77.98 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.936 -0.575 . . . . 61.0 110.745 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 19.3 ptt180 -74.78 -23.66 58.55 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.911 -0.315 . . . . 61.0 110.978 177.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 46.4 t -64.16 -31.15 72.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.259 0.552 . . . . 61.0 109.656 173.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.85 -53.72 4.95 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.992 -0.549 . . . . 61.0 111.389 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 39' ' ' ALA . 58.3 t -83.76 -45.91 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.782 0.66 . . . . 61.0 112.782 -171.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -70.65 -44.37 67.26 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.063 -0.398 . . . . 61.0 110.511 -177.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 71' ' ' SER . . . -75.53 2.99 10.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 61.0 111.154 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -74.68 111.96 10.4 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.059 -0.719 . . . . 61.0 109.059 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.52 23.8 22.93 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.975 -0.631 . . . . 61.0 111.744 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.7 -18.15 64.2 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.805 0.336 . . . . 61.0 111.516 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -80.97 -15.23 56.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 61.0 110.866 -175.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -126.8 103.69 7.66 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.43 -0.35 . . . . 61.0 110.846 -177.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.8 mp -79.77 77.56 6.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.299 0.571 . . . . 61.0 110.449 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.58 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 38.8 ttmt -81.53 163.3 22.77 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.962 -0.755 . . . . 61.0 108.962 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.532 ' HA ' HD13 ' A' ' 86' ' ' ILE . 12.9 p -51.47 -33.47 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.958 0.409 . . . . 61.0 111.748 -177.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.839 HG21 ' HB3' ' A' ' 15' ' ' PRO . 2.0 m -71.46 -25.1 62.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.236 0.541 . . . . 61.0 111.302 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.58 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 0.9 OUTLIER -74.24 -23.95 59.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.153 -0.476 . . . . 61.0 111.379 -176.363 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.532 HD13 ' HA ' ' A' ' 83' ' ' VAL . 3.5 mp -64.39 -28.2 44.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.527 -0.306 . . . . 61.0 111.034 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.448 ' HA ' ' HG2' ' A' ' 90' ' ' ARG . 36.0 tt0 -60.09 -40.38 89.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.255 0.55 . . . . 61.0 110.049 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -64.72 -35.39 80.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.765 -0.652 . . . . 61.0 110.214 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.526 ' HD1' HD12 ' A' ' 92' ' ' LEU . 17.0 m-85 -80.7 -29.48 36.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.977 -0.556 . . . . 61.0 111.651 -174.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.448 ' HG2' ' HA ' ' A' ' 87' ' ' GLN . 17.1 ptm180 -75.39 -29.94 59.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.407 . . . . 61.0 110.413 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.64 ' OE1' ' HA ' ' A' ' 46' ' ' ILE . 49.7 tt0 -94.45 -2.09 52.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.258 0.552 . . . . 61.0 109.864 177.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.526 HD12 ' HD1' ' A' ' 89' ' ' TYR . 0.6 OUTLIER -64.81 118.81 9.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.869 -0.605 . . . . 61.0 111.591 -176.222 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -141.95 158.29 43.95 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.049 -1.093 . . . . 61.0 108.049 172.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -64.66 -44.56 90.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.366 -0.976 . . . . 61.0 108.366 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.414 ' HE1' ' NH2' ' A' ' 53' ' ' ARG . 36.6 t-80 . . . . . 0 C--O 1.244 0.792 0 CA-C-N 114.812 -1.085 . . . . 61.0 109.3 169.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.782 0.325 . . . . 61.0 110.98 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -175.76 -67.14 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.07 -1.085 . . . . 61.0 108.07 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp -92.88 178.8 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.042 -0.981 . . . . 61.0 108.513 169.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -85.17 -3.93 58.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.79 0.329 . . . . 61.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -135.15 144.53 47.1 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.662 -0.495 . . . . 61.0 109.662 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.8 t -88.15 96.02 5.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.988 0.423 . . . . 61.0 110.446 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -82.31 121.9 27.27 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.036 -0.727 . . . . 61.0 109.036 175.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.09 113.7 6.04 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.129 -0.558 . . . . 61.0 113.098 -176.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.76 122.54 9.71 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.662 2.241 . . . . 61.0 110.89 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -95.76 -11.77 26.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.238 -0.437 . . . . 61.0 110.696 -176.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.572 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.3 pt20 -151.3 141.2 21.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.427 -0.351 . . . . 61.0 110.309 176.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.8 m -131.98 155.98 42.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.414 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -96.6 136.57 36.94 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.15 0.5 . . . . 61.0 111.019 -178.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -88.33 159.17 48.04 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.985 -0.552 . . . . 61.0 110.337 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HG3' ' HG3' ' A' ' 88' ' ' LYS . 11.1 Cg_exo -71.17 -15.1 31.97 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.474 2.116 . . . . 61.0 109.956 169.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -75.09 -15.66 60.6 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 114.669 -1.15 . . . . 61.0 109.807 177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.4 2.96 63.36 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.931 -0.652 . . . . 61.0 111.738 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.574 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -89.04 169.84 11.16 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 122.46 0.304 . . . . 61.0 110.832 -178.337 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.0 t -116.17 125.57 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.774 -0.454 . . . . 61.0 109.774 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.694 ' HB2' HD21 ' A' ' 14' ' ' LEU . 53.1 tp -113.63 108.94 17.83 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.923 -0.58 . . . . 61.0 110.13 -178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 88.6 p -99.3 169.96 8.99 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.987 -0.375 . . . . 61.0 109.987 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.587 ' NH1' HG22 ' A' ' 50' ' ' ILE . 48.8 mtp85 -71.91 -6.61 43.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.825 0.345 . . . . 61.0 110.72 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -92.4 -8.97 43.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 61.0 110.619 174.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.537 ' HB2' HD12 ' A' ' 20' ' ' LEU . 21.7 m-20 -90.45 -4.06 57.25 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.119 -0.492 . . . . 61.0 110.578 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.522 HD11 HG21 ' A' ' 50' ' ' ILE . 56.9 mt -67.71 134.81 92.4 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.864 -0.607 . . . . 61.0 110.47 177.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -61.97 149.67 89.37 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 123.087 2.525 . . . . 61.0 111.474 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.505 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 25.2 Cg_endo -61.5 151.67 78.34 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.741 2.294 . . . . 61.0 112.796 -178.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.2 mt -70.48 -20.61 62.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.1 -0.5 . . . . 61.0 111.127 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.01 4.77 16.0 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.875 -0.602 . . . . 61.0 110.531 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.505 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 85.8 m -84.17 103.95 13.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.132 -0.486 . . . . 61.0 111.302 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -109.36 169.45 8.69 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.079 -0.712 . . . . 61.0 109.079 169.392 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 31' ' ' ARG . 46.1 ttt180 76.79 -53.67 0.57 Allowed 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.91 0.756 . . . . 61.0 109.544 -173.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 m95 70.83 159.56 0.2 Allowed 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.285 -0.87 . . . . 61.0 112.564 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.02 162.16 39.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.614 -1.176 . . . . 61.0 108.728 173.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.36 -41.04 79.35 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.465 0.543 . . . . 61.0 112.465 -173.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.9 p -58.55 -47.61 83.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.344 . . . . 61.0 111.729 -178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' HG23 ' A' ' 41' ' ' VAL . 61.2 mtt180 -69.02 -39.39 79.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 61.0 110.878 -179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -62.43 -41.75 98.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.251 -0.432 . . . . 61.0 110.69 177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.53 93.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.145 -0.48 . . . . 61.0 110.974 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.45 90.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.448 -0.342 . . . . 61.0 110.904 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 37' ' ' ARG . 86.8 t -63.5 -48.12 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 61.0 111.345 -179.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 46' ' ' ILE . 14.9 p -65.73 -41.66 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.848 -0.341 . . . . 61.0 111.075 -177.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.692 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.3 mttt -66.39 -30.13 70.44 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 122.315 -0.241 . . . . 61.0 110.684 179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.64 -49.15 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 61.0 110.469 177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.5 HG22 HG13 ' A' ' 50' ' ' ILE . 56.5 t -65.57 -45.59 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 61.0 110.821 179.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 42' ' ' VAL . 96.8 mt -56.06 -40.97 66.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.957 -0.565 . . . . 61.0 111.953 -177.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -88.76 -5.12 58.3 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.733 -0.387 . . . . 61.0 111.818 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.66 17.37 56.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.674 -0.774 . . . . 61.0 112.954 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.494 HD22 ' HG ' ' A' ' 20' ' ' LEU . 31.2 tp -69.52 -44.89 70.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.472 0.653 . . . . 61.0 109.427 177.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.587 HG22 ' NH1' ' A' ' 22' ' ' ARG . 36.0 pt -131.37 172.22 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.091 -0.959 . . . . 61.0 108.959 174.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 54' ' ' GLU . 4.6 t -100.16 149.56 23.4 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.059 0.457 . . . . 61.0 110.262 175.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.655 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 19.9 tt0 -57.24 -40.03 76.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.567 -0.742 . . . . 61.0 110.47 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.61 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 1.2 tmt_? -66.92 -30.56 70.73 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.701 -0.481 . . . . 61.0 109.701 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 31.6 tt0 -66.66 -46.57 75.27 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.579 -0.526 . . . . 61.0 109.579 178.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.4 86.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.115 -0.493 . . . . 61.0 110.769 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 49.7 mt -68.85 -31.93 71.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.682 -0.69 . . . . 61.0 110.776 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . 16.7 t70 -78.93 -55.34 5.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.981 -0.554 . . . . 61.0 111.232 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.1 ptm180 -67.87 -36.92 81.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.698 -0.683 . . . . 61.0 111.776 -171.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -97.55 -1.11 44.67 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.966 -0.294 . . . . 61.0 111.393 -177.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.2 t 57.4 74.29 0.42 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.528 0.68 . . . . 61.0 109.844 -176.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 82.5 mt -127.14 -161.89 1.11 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.536 -0.756 . . . . 61.0 110.067 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.9 m -148.59 157.23 43.32 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.222 -0.659 . . . . 61.0 109.222 175.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -58.88 -40.62 84.95 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 123.194 0.309 . . . . 61.0 110.94 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.92 -37.28 79.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 61.0 110.979 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -67.92 -50.0 58.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.771 -0.65 . . . . 61.0 109.81 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -62.31 -33.97 75.7 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.091 -0.504 . . . . 61.0 110.576 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.62 -40.29 82.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 61.0 110.329 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.5 mt -66.64 -42.24 87.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.992 -0.549 . . . . 61.0 110.298 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -55.82 -51.64 66.78 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.009 -0.542 . . . . 61.0 111.224 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -71.79 -22.34 61.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.866 0.321 . . . . 61.0 111.866 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.472 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 69.8 m -80.18 -23.52 40.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.036 0.446 . . . . 61.0 110.587 175.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.32 -23.31 22.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.138 -0.483 . . . . 61.0 111.241 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t -108.12 -68.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 121.063 -0.255 . . . . 61.0 111.648 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.84 -41.08 92.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.912 0.387 . . . . 61.0 111.481 -175.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 71' ' ' SER . . . -74.64 -12.09 60.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.152 0.501 . . . . 61.0 110.619 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.45 ' C ' ' H ' ' A' ' 78' ' ' GLU . 29.9 t60 -88.93 4.66 47.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.471 0.653 . . . . 61.0 109.595 175.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.41 ' O ' HD12 ' A' ' 81' ' ' LEU . . . -78.94 14.68 12.77 Favored Glycine 0 N--CA 1.452 -0.288 0 N-CA-C 110.888 -0.885 . . . . 61.0 110.888 171.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 76' ' ' HIS . 7.7 pt-20 -49.58 -26.7 3.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 124.949 1.299 . . . . 61.0 112.561 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -98.27 8.69 44.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.202 -0.454 . . . . 61.0 111.958 -175.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -148.29 47.42 1.05 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.083 0.401 . . . . 61.0 112.083 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 77' ' ' GLY . 7.1 mp -80.0 76.17 6.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.222 0.534 . . . . 61.0 110.875 174.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 88.3 tttt -97.22 150.85 20.45 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.994 -0.743 . . . . 61.0 108.994 176.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.614 ' HA ' HD12 ' A' ' 86' ' ' ILE . 8.5 p -48.67 -37.43 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.162 0.506 . . . . 61.0 111.317 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 10.8 m -61.66 -52.47 64.18 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.132 -0.94 . . . . 61.0 111.121 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.568 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 1.3 mpt? -63.37 -32.65 74.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.455 -0.793 . . . . 61.0 111.251 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 83' ' ' VAL . 7.1 mt -68.87 -30.81 48.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.243 -0.435 . . . . 61.0 111.309 -178.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -65.37 -31.22 72.23 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.897 -0.779 . . . . 61.0 108.897 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.549 ' HA ' ' HG2' ' A' ' 91' ' ' GLN . 67.3 mmtt -74.65 -22.62 58.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.58 -0.737 . . . . 61.0 109.918 177.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.503 ' CD2' ' HA ' ' A' ' 86' ' ' ILE . 22.4 m-85 -80.58 -25.02 38.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.976 0.417 . . . . 61.0 110.035 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 48.5 mtm180 -79.89 -24.17 41.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.206 -0.452 . . . . 61.0 110.976 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.549 ' HG2' ' HA ' ' A' ' 88' ' ' LYS . 3.8 pt20 -88.64 -5.61 58.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.547 0.689 . . . . 61.0 109.163 173.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.429 ' C ' HD23 ' A' ' 92' ' ' LEU . 7.1 tt -91.17 122.49 33.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.806 -1.088 . . . . 61.0 109.456 177.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -169.19 -72.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 123.311 0.382 . . . . 61.0 110.246 176.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -171.32 97.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.866 -0.606 . . . . 61.0 109.886 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 . . . . . 0 C--N 1.317 -0.846 0 CA-C-O 118.582 -0.723 . . . . 61.0 109.261 177.834 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HB3' ' H ' ' A' ' 2' ' ' TYR . 59.3 mtt . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.122 -0.325 . . . . 61.0 110.122 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.406 ' H ' ' HB3' ' A' ' 1' ' ' MET . 52.3 t80 73.61 -75.21 0.08 Allowed 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.858 0.724 . . . . 61.0 110.196 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.4 mt 60.89 -88.47 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.731 0.644 . . . . 61.0 111.247 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -80.16 -62.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.365 -0.605 . . . . 61.0 109.365 174.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 176.87 135.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.941 -1.027 . . . . 61.0 108.938 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 28.5 t -80.88 132.04 32.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.053 -0.721 . . . . 61.0 109.053 175.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.51 75.86 2.55 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 109.723 -0.473 . . . . 61.0 109.723 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.41 -157.42 24.45 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.618 -0.719 . . . . 61.0 112.26 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -81.52 126.32 5.34 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 122.67 2.247 . . . . 61.0 111.109 171.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -78.08 -31.2 50.02 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.801 -0.444 . . . . 61.0 109.801 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.578 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.4 pt20 -155.92 141.71 17.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 61.0 110.26 -177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.7 m -123.95 156.07 31.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.229 -0.441 . . . . 61.0 110.551 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.1 m -93.8 135.33 35.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.232 -0.44 . . . . 61.0 110.916 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.678 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -89.63 156.85 47.43 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.187 -0.46 . . . . 61.0 110.235 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' NE2' ' A' ' 47' ' ' HIS . 16.0 Cg_exo -68.51 -14.38 39.62 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.525 2.15 . . . . 61.0 110.089 171.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.66 -14.85 60.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.599 -1.182 . . . . 61.0 109.794 176.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.49 3.98 64.4 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.882 -0.599 . . . . 61.0 111.634 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.488 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.3 m -89.26 169.28 11.58 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.485 -0.358 . . . . 61.0 111.124 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.72 126.5 72.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.853 -0.425 . . . . 61.0 109.853 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.652 ' HB2' HD21 ' A' ' 14' ' ' LEU . 38.7 tp -115.41 104.98 12.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.145 -0.48 . . . . 61.0 110.055 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.578 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.5 p -94.21 169.94 9.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.256 -0.429 . . . . 61.0 110.495 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -66.46 -13.06 60.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.129 -0.487 . . . . 61.0 111.078 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.5 -7.78 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 61.0 110.546 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.492 ' HB2' HD12 ' A' ' 20' ' ' LEU . 24.3 m-20 -86.13 -13.62 46.58 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.931 -0.396 . . . . 61.0 109.931 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.1 mt -56.65 129.67 76.74 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.725 -0.67 . . . . 61.0 109.829 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -57.24 148.74 68.58 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 123.105 2.537 . . . . 61.0 112.214 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.18 155.14 71.92 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.795 2.33 . . . . 61.0 112.449 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.4 mt -68.6 -17.18 64.07 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.934 -0.575 . . . . 61.0 110.818 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.73 -23.29 65.24 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.568 -0.742 . . . . 61.0 110.532 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 95.8 m -66.56 113.71 4.96 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 121.508 0.671 . . . . 61.0 110.559 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.53 -41.52 2.82 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.303 -0.862 . . . . 61.0 108.976 178.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -77.0 82.16 3.53 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.142 -1.058 . . . . 61.0 108.142 168.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -66.42 119.02 10.9 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.09 -0.959 . . . . 61.0 111.75 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.45 162.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 61.0 109.444 173.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.84 -42.15 71.6 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.303 0.377 . . . . 61.0 111.678 -176.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.6 m -60.09 -40.77 90.74 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.835 0.309 . . . . 61.0 111.835 -178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -79.07 -32.96 44.96 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.602 -0.272 . . . . 61.0 110.731 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -65.45 -43.2 91.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.03 0.443 . . . . 61.0 110.417 173.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -61.46 -39.35 90.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.693 -0.685 . . . . 61.0 111.222 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.4 95.31 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.821 0.343 . . . . 61.0 110.796 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.0 t -66.67 -48.43 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.274 -0.421 . . . . 61.0 111.355 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.526 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.7 p -66.26 -40.21 86.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.621 -0.263 . . . . 61.0 111.395 -177.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.678 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.1 mttt -65.54 -35.35 80.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.707 0.289 . . . . 61.0 110.461 178.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.517 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -59.73 -45.92 90.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.119 0.485 . . . . 61.0 110.368 177.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.641 HG11 ' HG3' ' A' ' 52' ' ' GLU . 82.0 t -66.99 -45.04 88.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.637 -0.711 . . . . 61.0 111.506 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.2 mt -65.49 -37.64 80.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.181 -0.463 . . . . 61.0 111.359 -177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.415 ' NE2' ' HD3' ' A' ' 15' ' ' PRO . 78.2 m-70 -81.93 -18.13 44.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.801 -0.359 . . . . 61.0 111.355 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.13 2.51 45.09 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.381 -0.914 . . . . 61.0 113.225 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.495 HD22 ' HG ' ' A' ' 20' ' ' LEU . 37.7 tp -55.33 -52.41 63.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.348 0.594 . . . . 61.0 109.6 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.1 pt -129.07 -175.92 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.724 -0.843 . . . . 61.0 108.724 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.418 HG23 ' H ' ' A' ' 54' ' ' GLU . 8.9 t -123.23 167.04 14.25 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.884 -0.326 . . . . 61.0 110.276 177.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.641 ' HG3' HG11 ' A' ' 45' ' ' VAL . 6.4 mt-10 -55.54 -48.05 75.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.47 . . . . 61.0 111.621 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.97 -29.56 70.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.828 -0.624 . . . . 61.0 111.02 -177.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 13.1 tp10 -71.59 -46.88 57.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.742 -0.663 . . . . 61.0 110.219 178.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.98 -49.4 65.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.916 -0.584 . . . . 61.0 111.105 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 68.1 mt -61.07 -36.41 79.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.594 . . . . 61.0 110.89 -177.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -69.67 -55.8 9.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.254 -0.43 . . . . 61.0 111.385 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.1 ptp180 -65.88 -37.94 87.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 61.0 111.783 -174.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -92.89 0.08 57.34 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.991 0.367 . . . . 61.0 111.991 -175.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.3 m 58.91 39.23 24.01 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.24 0.543 . . . . 61.0 110.691 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 90.0 mt -93.49 167.86 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.713 -0.676 . . . . 61.0 110.635 -177.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.482 ' HB3' ' OE1' ' A' ' 64' ' ' GLU . 19.0 m -106.25 153.3 22.35 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.418 -0.586 . . . . 61.0 109.418 175.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -63.56 -35.54 80.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.943 0.401 . . . . 61.0 110.799 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.482 ' OE1' ' HB3' ' A' ' 62' ' ' SER . 1.7 pm0 -71.19 -24.31 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 61.0 110.94 177.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 62' ' ' SER . 36.0 tp10 -70.36 -50.39 39.4 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.223 -0.658 . . . . 61.0 109.223 177.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 42' ' ' VAL . 50.9 t80 -62.86 -29.71 70.95 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.833 -0.622 . . . . 61.0 110.354 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.76 -40.25 87.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.514 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 92.8 mt -67.17 -42.98 83.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.277 -0.42 . . . . 61.0 110.104 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -54.26 -55.04 32.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.965 -0.561 . . . . 61.0 111.133 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.526 ' HA ' HG21 ' A' ' 42' ' ' VAL . 7.4 ptm180 -69.89 -29.05 66.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 61.0 111.168 -175.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.562 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 6.6 t -75.69 -28.79 58.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.071 0.462 . . . . 61.0 110.317 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.5 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -86.2 -39.2 16.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.474 -0.33 . . . . 61.0 111.492 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.8 t -84.77 -66.26 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.636 0.255 . . . . 61.0 111.401 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.69 -40.12 63.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.924 0.392 . . . . 61.0 111.315 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 71' ' ' SER . . . -88.96 13.63 12.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.25 -0.432 . . . . 61.0 111.547 -175.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 48.2 t-80 -63.29 -34.76 78.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.429 0.633 . . . . 61.0 109.345 173.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.33 77.71 0.25 Allowed Glycine 0 N--CA 1.443 -0.884 0 CA-C-N 115.233 -0.894 . . . . 61.0 110.987 174.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -103.66 0.55 30.82 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.924 0.393 . . . . 61.0 110.968 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -92.38 -21.02 20.46 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.245 -0.434 . . . . 61.0 110.872 -176.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' A' ' 85' ' ' MET . . . -98.56 89.76 4.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.122 -0.49 . . . . 61.0 110.315 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.57 77.08 7.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.349 0.595 . . . . 61.0 110.473 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.44 ' O ' HD12 ' A' ' 86' ' ' ILE . 15.0 tptm -96.84 166.7 11.5 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.595 -0.891 . . . . 61.0 108.595 175.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.3 p -53.91 -31.78 21.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 112.796 0.665 . . . . 61.0 112.796 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.3 m -77.84 -18.42 56.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.217 0.532 . . . . 61.0 111.075 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.692 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 1.2 mpt? -88.99 -16.87 30.66 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.547 0.573 . . . . 61.0 112.547 -170.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 82' ' ' LYS . 4.2 mp -60.63 -30.33 46.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.927 0.394 . . . . 61.0 110.832 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -60.49 -37.97 82.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.2 -0.455 . . . . 61.0 111.243 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 85' ' ' MET . 18.1 ptpt -72.98 -27.62 61.91 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.907 0.384 . . . . 61.0 110.589 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -78.93 -31.27 45.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.985 0.421 . . . . 61.0 109.899 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.5 mtm180 -79.29 -25.17 42.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.088 -0.505 . . . . 61.0 111.06 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' HG3' ' HA ' ' A' ' 88' ' ' LYS . 1.3 pp0? -83.63 -11.83 56.77 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.25 0.548 . . . . 61.0 109.739 176.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.6 tt -79.05 -26.14 43.12 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.553 -0.906 . . . . 61.0 108.553 174.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -78.37 72.35 4.89 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.885 -1.052 . . . . 61.0 109.641 175.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -94.15 -2.39 52.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.644 0.735 . . . . 61.0 109.415 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 . . . . . 0 C--O 1.243 0.746 0 CA-C-N 114.819 -1.082 . . . . 61.0 108.895 173.225 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 120.591 0.234 . . . . 61.0 110.827 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -83.49 84.63 7.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.939 0.399 . . . . 61.0 110.845 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 tt -179.87 -74.73 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.304 -0.998 . . . . 61.0 108.304 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -170.1 123.89 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.525 -0.762 . . . . 61.0 109.597 177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -97.7 165.36 12.0 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.281 -1.007 . . . . 61.0 108.281 173.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.17 88.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.384 0.611 . . . . 61.0 110.31 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.468 ' OD2' ' HD3' ' A' ' 10' ' ' ARG . 17.2 t70 -124.93 112.78 17.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.646 -0.706 . . . . 61.0 109.939 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.71 -107.96 0.27 Allowed Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 110.298 -1.121 . . . . 61.0 110.298 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.9 88.08 1.43 Allowed 'Trans proline' 0 N--CA 1.454 -0.808 0 C-N-CA 121.975 1.784 . . . . 61.0 111.168 173.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HD3' ' OD2' ' A' ' 7' ' ' ASP . 20.3 mtm180 -83.85 -19.2 35.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.375 -0.375 . . . . 61.0 110.274 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.604 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.8 pt20 -154.26 140.46 18.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.946 -0.57 . . . . 61.0 110.717 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.5 m -123.44 159.54 27.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.993 -0.548 . . . . 61.0 110.823 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.2 m -100.65 129.14 46.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.92 -0.582 . . . . 61.0 110.685 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.655 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.2 mm? -83.9 153.89 64.07 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.708 -0.479 . . . . 61.0 109.708 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.45 -14.88 43.96 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.03 1.82 . . . . 61.0 110.048 173.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.72 -16.14 61.2 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.271 -1.331 . . . . 61.0 110.34 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.75 3.37 66.32 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 121.013 -0.613 . . . . 61.0 111.609 -176.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 m -86.81 166.44 15.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.312 -0.444 . . . . 61.0 110.641 -178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.3 t -113.48 129.48 69.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.918 -0.401 . . . . 61.0 109.918 176.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.623 ' HB2' HD21 ' A' ' 14' ' ' LEU . 50.8 tp -122.49 106.81 11.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.154 -0.475 . . . . 61.0 110.127 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.604 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 86.1 p -101.12 173.8 6.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.443 -0.344 . . . . 61.0 110.145 178.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -71.47 -9.6 58.44 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.838 0.352 . . . . 61.0 110.818 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.17 -6.99 37.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.099 -0.501 . . . . 61.0 110.608 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.477 ' HB2' HD12 ' A' ' 20' ' ' LEU . 13.4 m-20 -90.68 -18.49 24.97 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 116.106 -0.497 . . . . 61.0 110.904 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 50' ' ' ILE . 67.6 mt -52.93 139.75 42.27 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-N 116.125 -0.488 . . . . 61.0 111.073 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.31 137.99 78.56 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.792 2.328 . . . . 61.0 111.114 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.89 150.41 78.05 Favored 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.644 2.229 . . . . 61.0 112.745 -175.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.4 mt -65.95 -16.41 63.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.526 0.679 . . . . 61.0 109.872 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -64.43 -28.26 69.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.214 -0.903 . . . . 61.0 111.041 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.511 HG23 HH11 ' A' ' 37' ' ' ARG . 54.4 m -64.54 119.37 10.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.361 0.6 . . . . 61.0 112.103 -177.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 7.9 tpt180 -115.21 -36.04 4.49 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.321 -0.854 . . . . 61.0 108.754 172.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -71.98 82.43 0.94 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.629 -0.714 . . . . 61.0 109.558 172.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -73.94 93.22 2.18 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.629 -0.714 . . . . 61.0 111.977 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.5 m -82.65 170.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.656 -0.702 . . . . 61.0 110.088 175.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.86 -53.42 56.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.636 0.606 . . . . 61.0 112.636 -173.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.8 m -64.11 -32.56 74.16 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.188 0.44 . . . . 61.0 112.188 -174.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.511 HH11 HG23 ' A' ' 30' ' ' THR . 98.3 mtt180 -70.71 -39.82 73.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.849 0.357 . . . . 61.0 110.325 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.11 -42.02 99.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.95 -0.568 . . . . 61.0 110.253 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.482 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -61.54 -39.02 89.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.523 -0.762 . . . . 61.0 111.305 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.39 98.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.83 0.348 . . . . 61.0 110.763 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 37' ' ' ARG . 59.5 t -64.76 -47.64 87.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.216 -0.447 . . . . 61.0 111.238 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.482 HG12 ' HA ' ' A' ' 39' ' ' ALA . 13.5 p -68.22 -38.75 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 CA-C-N 116.43 -0.35 . . . . 61.0 111.126 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.2 mttt -63.46 -30.96 72.0 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.768 0.318 . . . . 61.0 110.372 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.484 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -64.04 -44.69 91.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.028 -0.533 . . . . 61.0 110.911 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.527 HG22 HG13 ' A' ' 50' ' ' ILE . 62.6 t -72.96 -38.14 55.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.02 0.438 . . . . 61.0 110.95 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.0 -39.0 80.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.984 -0.553 . . . . 61.0 111.427 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -85.9 -18.65 32.13 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.829 -0.348 . . . . 61.0 111.485 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 25.68 13.42 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.192 -1.004 . . . . 61.0 112.603 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.505 HD22 ' HG ' ' A' ' 20' ' ' LEU . 40.1 tp -73.98 -50.45 19.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.065 0.936 . . . . 61.0 108.892 175.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.527 HG13 HG22 ' A' ' 45' ' ' VAL . 37.5 pt -124.88 163.82 24.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 114.395 -1.275 . . . . 61.0 108.386 173.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.495 HG23 ' H ' ' A' ' 54' ' ' GLU . 10.8 t -92.05 159.85 15.51 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 120.108 -0.637 . . . . 61.0 109.686 176.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.507 ' HG3' ' CE2' ' A' ' 66' ' ' PHE . 31.4 tt0 -57.11 -45.59 83.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.893 -0.594 . . . . 61.0 111.062 -172.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HG2' HD12 ' A' ' 56' ' ' LEU . 1.1 mtp180 -71.03 -26.62 63.18 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 111.846 0.313 . . . . 61.0 111.846 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' H ' HG23 ' A' ' 51' ' ' THR . 28.0 tt0 -62.58 -36.79 83.82 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.434 -0.58 . . . . 61.0 109.434 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.13 -46.66 76.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.753 -0.658 . . . . 61.0 110.484 174.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.584 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 61.1 mt -61.82 -53.98 48.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.804 -0.635 . . . . 61.0 111.149 -178.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -63.61 -31.25 72.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.782 -0.645 . . . . 61.0 112.402 -172.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.4 ptp180 -86.21 -23.02 26.62 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.3 -0.56 . . . . 61.0 111.967 -178.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.46 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 56.1 m-85 -110.2 4.23 20.8 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.827 -0.349 . . . . 61.0 111.432 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.7 m 63.06 25.59 15.04 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.222 0.534 . . . . 61.0 110.728 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 88.3 mt -81.45 154.48 26.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.761 -0.654 . . . . 61.0 110.868 -177.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.459 ' O ' ' HB3' ' A' ' 65' ' ' GLU . 14.8 m -92.61 154.26 18.5 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.914 -0.585 . . . . 61.0 109.513 176.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.27 -42.12 81.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.156 -0.475 . . . . 61.0 110.902 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.7 pt-20 -68.13 -30.46 69.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.704 -0.68 . . . . 61.0 110.952 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.459 ' HB3' ' O ' ' A' ' 62' ' ' SER . 7.4 tp10 -60.73 -58.9 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.226 0.536 . . . . 61.0 109.588 175.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.591 ' HE2' HH11 ' A' ' 70' ' ' ARG . 55.6 t80 -63.64 -31.44 72.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.719 -0.673 . . . . 61.0 110.782 -178.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.25 -44.03 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 61.0 110.154 175.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 87.6 mt -66.74 -40.07 88.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 61.0 110.481 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -53.52 -51.51 62.61 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.304 -0.407 . . . . 61.0 111.039 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.591 HH11 ' HE2' ' A' ' 66' ' ' PHE . 12.1 ptm180 -77.66 -21.63 51.86 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.117 -0.233 . . . . 61.0 111.611 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.7 m -77.2 -15.81 59.33 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.283 0.563 . . . . 61.0 110.068 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.44 -63.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.59 -0.732 . . . . 61.0 110.818 173.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.1 t -66.74 -50.22 67.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.342 -0.39 . . . . 61.0 111.962 -173.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -78.97 10.0 3.81 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.002 0.429 . . . . 61.0 111.058 -176.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.13 12.59 4.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.101 -0.499 . . . . 61.0 109.782 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -101.87 112.22 24.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.872 -0.604 . . . . 61.0 110.722 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.411 ' O ' HD11 ' A' ' 81' ' ' LEU . . . -169.5 87.22 0.09 OUTLIER Glycine 0 N--CA 1.441 -0.995 0 CA-C-N 115.351 -0.84 . . . . 61.0 111.513 178.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.47 -18.86 16.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.096 0.474 . . . . 61.0 109.976 178.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -77.36 -59.58 2.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.743 -0.662 . . . . 61.0 111.339 -176.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -155.34 134.81 12.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.904 0.383 . . . . 61.0 111.358 -177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.411 HD11 ' O ' ' A' ' 77' ' ' GLY . 7.7 mp -112.89 86.46 2.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.905 -0.589 . . . . 61.0 109.438 176.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -65.63 154.02 39.99 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.478 -0.564 . . . . 61.0 109.478 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.1 p -58.0 -21.71 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.465 0.65 . . . . 61.0 110.846 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.1 m -85.65 -8.79 58.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.693 -0.685 . . . . 61.0 111.033 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 38.4 tpp -92.22 -27.48 17.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.392 -0.367 . . . . 61.0 111.888 -171.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.504 HD12 ' H ' ' A' ' 86' ' ' ILE . 5.0 mp -58.18 -37.67 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 120.606 0.241 . . . . 61.0 110.91 -177.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 91' ' ' GLN . 29.4 tt0 -49.26 -44.13 43.5 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.123 -0.49 . . . . 61.0 111.417 175.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 88' ' ' LYS . 12.7 mptt -69.27 -30.37 68.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.026 -0.534 . . . . 61.0 110.64 -176.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.636 ' O ' HD22 ' A' ' 92' ' ' LEU . 27.7 m-85 -80.44 -18.49 48.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.025 -0.534 . . . . 61.0 110.686 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -89.76 -30.44 18.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.657 -0.247 . . . . 61.0 111.651 -176.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 87' ' ' GLN . 4.3 pt20 -86.54 17.91 3.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.75 0.31 . . . . 61.0 111.827 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.636 HD22 ' O ' ' A' ' 89' ' ' TYR . 1.5 pt? -75.73 -15.55 60.27 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.188 -0.32 . . . . 61.0 111.391 179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 35.39 87.07 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.952 0.901 . . . . 61.0 112.521 -168.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.483 ' HB3' ' HG ' ' A' ' 92' ' ' LEU . 19.9 t-80 -160.75 -31.11 0.06 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.556 -1.202 . . . . 61.0 109.923 -176.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 . . . . . 0 C--O 1.247 0.935 0 N-CA-C 108.719 -0.845 . . . . 61.0 108.719 -172.183 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.791 -0.448 . . . . 61.0 109.791 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -91.38 101.71 14.39 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.901 0.334 . . . . 61.0 111.901 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.7 mt 56.55 -92.01 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.198 0.936 . . . . 61.0 112.395 172.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -138.4 -57.33 0.64 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.587 -0.523 . . . . 61.0 109.587 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 5' ' ' ARG . 38.2 ttt180 -103.51 120.6 41.18 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.536 -0.756 . . . . 61.0 110.063 178.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -78.36 115.54 20.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.176 -0.465 . . . . 61.0 109.875 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -76.63 -23.4 53.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.34 -0.391 . . . . 61.0 111.2 -177.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.18 166.3 32.05 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.604 -0.808 . . . . 61.0 112.226 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.01 174.46 12.78 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.093 2.529 . . . . 61.0 111.548 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -88.37 -20.06 25.8 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.878 -0.329 . . . . 61.0 110.716 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 6.7 pt20 -149.86 144.95 26.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.997 0.427 . . . . 61.0 111.005 179.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 m -128.65 157.17 41.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.728 -0.669 . . . . 61.0 110.403 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.1 m -90.12 136.76 32.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.825 0.345 . . . . 61.0 111.063 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.734 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.0 mm? -90.97 158.55 41.61 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.46 -0.337 . . . . 61.0 110.095 176.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -74.39 -4.26 15.14 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.383 2.056 . . . . 61.0 111.516 176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -102.7 4.03 37.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.173 -0.921 . . . . 61.0 110.364 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.5 -9.76 69.12 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 121.028 -0.606 . . . . 61.0 113.762 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 19' ' ' VAL . 11.2 m -79.65 167.93 20.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.668 0.271 . . . . 61.0 111.095 -178.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.453 ' N ' HG22 ' A' ' 18' ' ' THR . 78.8 t -111.53 132.63 59.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.918 -0.401 . . . . 61.0 109.918 173.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.652 ' HB2' HD21 ' A' ' 14' ' ' LEU . 48.9 tp -113.46 106.67 14.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.264 -0.425 . . . . 61.0 110.123 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 71.3 p -94.78 163.96 13.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.05 -0.523 . . . . 61.0 110.365 178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' HG3' HD11 ' A' ' 49' ' ' LEU . 65.6 mtt180 -70.4 -11.52 60.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.56 -0.291 . . . . 61.0 111.425 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.73 -7.37 43.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.968 0.413 . . . . 61.0 110.386 175.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' HB3' HD12 ' A' ' 20' ' ' LEU . 34.9 t70 -91.97 -12.09 34.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.024 -0.535 . . . . 61.0 110.293 -179.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.1 139.53 91.08 Favored Pre-proline 0 C--O 1.233 0.212 0 CA-C-N 115.818 -0.628 . . . . 61.0 110.546 174.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.44 138.51 76.75 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.878 2.385 . . . . 61.0 112.274 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -66.05 165.73 23.11 Favored 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 123.495 2.796 . . . . 61.0 113.038 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.1 mt -79.55 -4.57 52.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.688 -0.687 . . . . 61.0 111.773 -174.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.28 -24.34 61.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.406 0.622 . . . . 61.0 109.503 177.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.507 HG21 ' CD ' ' A' ' 37' ' ' ARG . 69.6 m -79.48 116.13 19.52 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 114.732 -1.122 . . . . 61.0 112.1 -172.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -116.35 -28.46 6.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.577 -0.738 . . . . 61.0 109.972 172.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -75.24 78.06 2.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.52 0.676 . . . . 61.0 109.326 171.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.489 ' O ' ' HE3' ' A' ' 38' ' ' LYS . 97.5 m95 -71.14 113.15 7.88 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.208 -0.906 . . . . 61.0 111.51 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 33.4 m -103.91 166.14 3.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.428 -0.806 . . . . 61.0 109.595 175.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.42 -41.36 65.95 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.476 0.547 . . . . 61.0 112.476 -173.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.0 m -56.73 -49.64 74.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.218 0.532 . . . . 61.0 111.191 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.507 ' CD ' HG21 ' A' ' 30' ' ' THR . 90.5 mtt-85 -73.8 -35.62 64.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.876 -0.602 . . . . 61.0 110.816 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' ' 33' ' ' TRP . 98.9 mttt -62.69 -43.26 99.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 61.0 110.465 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.42 88.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 61.0 111.243 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.36 90.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.379 -0.373 . . . . 61.0 111.218 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.5 t -67.34 -51.9 47.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.449 -0.341 . . . . 61.0 111.354 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.3 p -66.49 -40.14 85.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.409 -0.36 . . . . 61.0 111.379 -175.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.734 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.3 mttt -66.42 -28.05 68.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.565 0.222 . . . . 61.0 110.691 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.1 82.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.894 0.378 . . . . 61.0 110.591 177.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.89 -42.17 82.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.141 0.496 . . . . 61.0 110.765 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -62.67 -27.15 42.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.723 -0.672 . . . . 61.0 111.84 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -102.27 0.28 34.07 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.245 0.461 . . . . 61.0 112.245 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.45 21.06 65.23 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.309 -0.948 . . . . 61.0 112.653 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.489 HD11 ' HG3' ' A' ' 22' ' ' ARG . 39.2 tp -74.74 -47.06 33.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.023 -0.732 . . . . 61.0 109.023 176.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.1 pt -132.12 168.93 22.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.071 -0.968 . . . . 61.0 108.669 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 54' ' ' GLU . 2.4 t -95.67 156.88 16.14 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.056 0.455 . . . . 61.0 110.586 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.483 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 21.9 tt0 -60.9 -39.24 88.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.822 -0.626 . . . . 61.0 110.358 -177.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -58.54 -42.57 88.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.698 -0.683 . . . . 61.0 110.504 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.518 ' H ' HG23 ' A' ' 51' ' ' THR . 32.1 tp10 -57.19 -47.83 80.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.462 -0.79 . . . . 61.0 109.907 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.16 87.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.251 -0.431 . . . . 61.0 111.148 -179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.565 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 34.4 mt -65.16 -34.07 77.52 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.231 -0.44 . . . . 61.0 111.015 -178.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -75.79 -59.6 2.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.6 -0.273 . . . . 61.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.5 ptm180 -64.06 -34.41 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.125 0.417 . . . . 61.0 112.125 -171.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.436 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 38.6 m-85 -102.07 2.12 37.19 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.785 -0.366 . . . . 61.0 111.297 -176.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 54.1 m 55.3 61.72 2.78 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.345 0.593 . . . . 61.0 110.46 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.565 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 48.4 mt -112.04 148.02 34.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.452 -0.794 . . . . 61.0 110.255 -177.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.3 m -99.07 169.64 9.27 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.053 -0.521 . . . . 61.0 110.102 175.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -58.0 -44.48 87.23 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.465 -0.334 . . . . 61.0 111.366 -175.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.548 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 2.0 pm0 -66.7 -32.73 74.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.612 -0.267 . . . . 61.0 110.924 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.551 ' HG2' HD22 ' A' ' 61' ' ' LEU . 6.9 tp10 -59.34 -60.6 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.032 0.444 . . . . 61.0 109.849 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -61.88 -32.04 72.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.754 -0.657 . . . . 61.0 110.332 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' ' 70' ' ' ARG . . . -62.54 -41.79 99.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 61.0 110.674 176.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 82.7 mt -64.88 -46.35 82.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.475 -0.33 . . . . 61.0 110.472 177.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.6 m0 -56.41 -49.98 72.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 61.0 110.861 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.491 ' HA ' HG21 ' A' ' 42' ' ' VAL . 11.1 ptm180 -70.28 -22.87 62.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.289 -0.414 . . . . 61.0 111.108 -177.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.662 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 56.8 m -84.06 -29.22 27.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.804 0.335 . . . . 61.0 110.955 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -81.58 -32.23 32.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.852 0.358 . . . . 61.0 111.386 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.8 t -100.14 -63.4 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.401 -0.363 . . . . 61.0 111.505 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.13 -38.82 63.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.488 -0.323 . . . . 61.0 111.828 -172.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' A' ' 71' ' ' SER . . . -90.18 8.59 32.23 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.988 0.423 . . . . 61.0 111.235 -177.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 13.2 t-160 -73.98 109.23 7.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.905 -0.589 . . . . 61.0 109.908 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.68 76.78 0.17 Allowed Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.081 -0.808 . . . . 61.0 111.081 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -78.52 -7.73 57.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.876 0.37 . . . . 61.0 110.732 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -68.19 -73.68 0.14 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.889 -0.596 . . . . 61.0 109.976 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.415 ' C ' HD12 ' A' ' 81' ' ' LEU . . . -175.58 80.59 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.207 -0.906 . . . . 61.0 109.199 179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.497 ' HB3' HG13 ' A' ' 86' ' ' ILE . 8.6 mp -126.75 103.8 7.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.831 -0.622 . . . . 61.0 110.439 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.498 ' O ' HD12 ' A' ' 86' ' ' ILE . 56.7 tttp -76.12 157.7 32.55 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.579 -0.897 . . . . 61.0 108.579 172.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.426 ' HA ' HD12 ' A' ' 86' ' ' ILE . 7.7 p -44.88 -42.18 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.384 0.513 . . . . 61.0 112.384 -176.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.542 HG22 ' HE2' ' A' ' 88' ' ' LYS . 8.7 m -65.41 -42.03 92.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.206 0.527 . . . . 61.0 111.295 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 65.5 mtt -59.65 -43.57 93.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.452 -0.795 . . . . 61.0 110.569 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 82' ' ' LYS . 3.0 mt -59.86 -44.34 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 61.0 110.924 -176.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -59.77 -34.06 72.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 61.0 110.603 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.542 ' HE2' HG22 ' A' ' 84' ' ' THR . 67.7 mttm -77.62 -9.19 58.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.419 -0.355 . . . . 61.0 111.874 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -106.42 -12.73 15.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.934 0.397 . . . . 61.0 110.826 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 86' ' ' ILE . 28.4 mmt180 -109.41 -40.42 4.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.943 0.402 . . . . 61.0 110.803 -178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -102.67 27.07 7.25 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.348 -0.612 . . . . 61.0 109.348 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.501 ' HG ' ' N ' ' A' ' 93' ' ' HIS . 2.5 pt? -52.19 -50.24 62.27 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.21 -0.905 . . . . 61.0 111.953 -175.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.501 ' N ' ' HG ' ' A' ' 92' ' ' LEU . 20.3 t-80 45.19 70.83 0.31 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.623 0.577 . . . . 61.0 110.528 -176.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -112.81 131.61 55.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.914 -0.585 . . . . 61.0 110.949 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.1 t60 . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.691 -0.671 . . . . 61.0 109.211 175.938 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ttt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.018 -0.364 . . . . 61.0 110.018 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -93.82 95.72 9.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.43 0.633 . . . . 61.0 109.949 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.503 ' HG ' ' H ' ' A' ' 5' ' ' ARG . 33.2 tp -141.56 151.27 43.06 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.545 -1.207 . . . . 61.0 108.557 -178.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -58.99 -24.38 62.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.759 0.314 . . . . 61.0 110.544 177.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.503 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 15.5 ttm180 -100.3 92.79 5.35 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.348 -0.982 . . . . 61.0 108.348 168.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.717 HG22 ' H ' ' A' ' 8' ' ' GLY . 10.7 p -75.21 143.14 13.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.552 -0.749 . . . . 61.0 112.03 -167.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -95.93 -16.41 21.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 61.0 110.109 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.717 ' H ' HG22 ' A' ' 6' ' ' VAL . . . 162.62 144.74 4.11 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.48 -0.782 . . . . 61.0 111.501 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.29 146.55 96.27 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.736 2.29 . . . . 61.0 111.558 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 12.0 ptt180 -72.72 -27.4 62.03 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.619 -0.433 . . . . 61.0 110.852 -177.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.563 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.5 pt20 -153.98 144.07 22.02 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.368 0.604 . . . . 61.0 112.008 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 m -117.47 157.68 18.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.408 -0.815 . . . . 61.0 109.993 175.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.7 m -99.34 140.44 33.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.023 0.439 . . . . 61.0 110.53 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -93.39 148.33 35.36 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 109.624 -0.51 . . . . 61.0 109.624 177.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.17 -17.51 59.98 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.452 2.102 . . . . 61.0 110.587 174.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -77.1 -11.37 59.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.887 -1.051 . . . . 61.0 110.554 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.13 -1.42 67.5 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 116.002 -0.544 . . . . 61.0 111.872 -177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.0 m -80.76 163.13 23.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.617 -0.291 . . . . 61.0 110.228 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -119.48 123.35 71.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.965 -0.383 . . . . 61.0 109.965 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 60.4 tp -113.17 109.64 19.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.207 -0.451 . . . . 61.0 110.08 -178.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.563 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 36.2 p -108.51 165.62 11.39 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.341 -0.39 . . . . 61.0 110.996 -177.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' HG3' HD11 ' A' ' 49' ' ' LEU . 33.9 mtp180 -62.79 -19.86 64.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.923 -0.58 . . . . 61.0 111.224 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.7 -2.7 31.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 61.0 110.897 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -97.05 -15.63 20.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.372 -0.376 . . . . 61.0 110.123 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 mt -50.76 140.39 19.81 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 115.951 -0.568 . . . . 61.0 110.706 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -57.36 147.41 77.57 Favored 'Trans proline' 0 CA--C 1.529 0.241 0 C-N-CA 122.939 2.426 . . . . 61.0 112.192 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.36 153.17 79.47 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.478 2.119 . . . . 61.0 112.606 -177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.2 mt -69.79 -16.51 63.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.639 -0.709 . . . . 61.0 110.19 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -66.93 -22.92 65.93 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 115.186 -0.915 . . . . 61.0 110.808 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.3 m -78.61 106.82 10.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.133 -0.485 . . . . 61.0 111.398 -177.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.426 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 15.9 tpt180 -105.08 -34.92 7.8 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.666 -0.697 . . . . 61.0 109.773 171.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 33.2 ptt180 -78.22 76.94 4.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 122.354 1.073 . . . . 61.0 109.07 171.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -65.4 121.39 14.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.485 -1.234 . . . . 61.0 112.327 -175.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.0 m -91.0 160.86 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.767 -0.651 . . . . 61.0 109.429 174.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.79 -40.46 69.47 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.824 0.305 . . . . 61.0 111.824 -175.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.8 m -60.58 -41.18 94.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.361 . . . . 61.0 111.557 -178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -82.05 -30.69 31.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 61.0 111.22 -174.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -64.03 -42.51 97.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.957 0.408 . . . . 61.0 109.912 172.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.7 -37.39 83.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.573 -0.739 . . . . 61.0 110.998 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.25 -48.22 80.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.449 -0.342 . . . . 61.0 111.023 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 71.5 t -63.62 -47.9 89.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.442 -0.344 . . . . 61.0 111.307 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.9 p -67.09 -40.12 84.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.503 -0.317 . . . . 61.0 111.306 -176.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.544 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.0 mttt -69.95 -24.57 63.37 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.079 -0.249 . . . . 61.0 110.728 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -63.76 -49.61 72.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 61.0 110.323 177.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 62.8 t -65.64 -43.23 93.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.182 178.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.02 -41.97 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.402 -0.817 . . . . 61.0 112.349 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -86.63 -0.75 56.81 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.88 0.326 . . . . 61.0 111.88 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.65 15.85 65.02 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.504 -0.855 . . . . 61.0 112.874 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.418 HD22 ' HG ' ' A' ' 20' ' ' LEU . 48.5 tp -68.73 -53.11 23.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.423 0.63 . . . . 61.0 109.489 177.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 34.4 pt -129.35 169.61 20.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.327 -0.851 . . . . 61.0 109.39 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 54' ' ' GLU . 10.2 t -95.5 159.53 14.95 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 110.126 -0.324 . . . . 61.0 110.126 175.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 29.6 tt0 -63.91 -42.7 97.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 61.0 110.647 -174.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -53.49 -40.73 65.58 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.823 -0.626 . . . . 61.0 110.336 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.56 ' H ' HG23 ' A' ' 51' ' ' THR . 16.9 tp10 -61.2 -51.85 67.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.308 -0.86 . . . . 61.0 110.294 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.14 -46.32 82.81 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.151 -0.477 . . . . 61.0 111.358 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 66' ' ' PHE . 47.0 mt -65.64 -44.83 85.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.682 -0.69 . . . . 61.0 111.232 -178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.63 -48.29 67.17 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.314 0.487 . . . . 61.0 112.314 -177.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm180 -64.79 -39.88 94.31 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.808 0.299 . . . . 61.0 111.808 -175.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -96.26 1.72 52.32 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.102 -0.239 . . . . 61.0 111.239 -177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.7 m 60.76 32.1 20.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.622 0.725 . . . . 61.0 110.661 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.568 HD22 ' HG2' ' A' ' 65' ' ' GLU . 84.5 mt -87.88 153.13 21.56 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.29 -0.868 . . . . 61.0 109.526 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 m -95.74 159.64 14.88 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 109.611 -0.515 . . . . 61.0 109.611 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.563 ' HG2' ' HE1' ' A' ' 94' ' ' HIS . 31.2 tt0 -59.96 -34.11 72.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.032 0.444 . . . . 61.0 110.641 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -57.55 -39.37 76.52 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.576 -0.738 . . . . 61.0 111.093 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.568 ' HG2' HD22 ' A' ' 61' ' ' LEU . 15.8 tp10 -65.12 -55.9 16.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.821 -0.627 . . . . 61.0 110.114 -178.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.533 ' HB2' HD21 ' A' ' 56' ' ' LEU . 47.0 t80 -59.77 -31.58 69.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.605 -0.725 . . . . 61.0 110.883 -177.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.2 94.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.03 -0.532 . . . . 61.0 110.442 176.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.39 -42.56 87.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.952 -0.567 . . . . 61.0 110.485 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -56.78 -54.42 46.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 61.0 111.339 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.479 ' HA ' HG21 ' A' ' 42' ' ' VAL . 13.2 ptm180 -64.81 -26.95 68.56 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.072 -0.251 . . . . 61.0 111.164 -177.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.5 m -75.28 -35.66 61.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.894 0.378 . . . . 61.0 110.642 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.92 -22.98 29.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 61.0 111.898 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.2 t -101.9 -57.84 4.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 112.031 0.382 . . . . 61.0 112.031 -177.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.97 -45.15 74.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.928 0.394 . . . . 61.0 110.833 -176.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.02 -66.81 0.86 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.789 -0.449 . . . . 61.0 109.789 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 61.1 t60 72.97 -7.47 1.47 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.919 0.762 . . . . 61.0 111.697 174.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 164.01 98.66 0.13 Allowed Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.471 -0.871 . . . . 61.0 112.267 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.514 ' HA ' ' OH ' ' A' ' 89' ' ' TYR . 9.8 pt-20 -84.7 31.77 0.53 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.598 0.713 . . . . 61.0 110.122 177.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -83.27 -36.24 24.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.125 -0.943 . . . . 61.0 110.375 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.33 100.43 7.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.575 -0.738 . . . . 61.0 110.536 -177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 mp -87.47 78.87 8.54 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.994 0.426 . . . . 61.0 111.053 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.513 ' O ' HD12 ' A' ' 86' ' ' ILE . 88.2 tttt -84.92 156.5 21.19 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.572 -0.899 . . . . 61.0 108.572 173.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.497 ' HA ' HD13 ' A' ' 86' ' ' ILE . 9.9 p -52.31 -32.24 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.888 0.375 . . . . 61.0 111.942 -177.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.3 m -74.45 -16.47 60.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.232 0.539 . . . . 61.0 111.21 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.6 mmt -84.37 -32.67 24.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.202 -0.454 . . . . 61.0 111.738 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.513 HD12 ' O ' ' A' ' 82' ' ' LYS . 4.3 mp -60.19 -40.07 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.82 -0.173 . . . . 61.0 111.382 -174.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -62.75 -32.16 73.24 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.819 -0.352 . . . . 61.0 110.722 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -73.98 -30.81 62.69 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.042 -0.263 . . . . 61.0 110.61 177.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.514 ' OH ' ' HA ' ' A' ' 78' ' ' GLU . 22.8 m-85 -72.41 -27.33 62.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 61.0 110.225 177.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -72.92 -39.59 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.512 . . . . 61.0 109.936 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -76.0 -18.4 59.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.638 0.733 . . . . 61.0 109.994 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.9 tp -70.79 -29.63 65.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.257 -0.883 . . . . 61.0 111.021 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -44.35 113.68 0.57 Allowed 'General case' 0 N--CA 1.465 0.323 0 O-C-N 124.273 0.983 . . . . 61.0 112.182 -173.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.563 ' HE1' ' HG2' ' A' ' 63' ' ' GLU . 33.5 t-80 -131.4 42.15 3.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.444 -0.798 . . . . 61.0 109.697 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.2 t60 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 115.495 -0.775 . . . . 61.0 109.058 178.833 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.821 0.343 . . . . 61.0 110.794 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -134.6 80.77 1.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.403 -0.362 . . . . 61.0 110.809 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.1 mm? 70.52 -43.97 0.56 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.663 0.785 . . . . 61.0 113.078 174.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -77.73 106.57 9.63 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.972 0.415 . . . . 61.0 110.483 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -146.98 140.8 25.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.791 -0.64 . . . . 61.0 110.493 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -88.16 130.3 37.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.811 -0.811 . . . . 61.0 108.811 170.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -56.83 -56.42 21.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.105 0.479 . . . . 61.0 110.596 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.68 105.5 1.63 Allowed Glycine 0 N--CA 1.444 -0.833 0 C-N-CA 120.826 -0.702 . . . . 61.0 111.775 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -56.56 144.79 83.7 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.733 2.289 . . . . 61.0 111.559 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 10' ' ' ARG . 55.0 mtt180 -82.13 -29.14 31.83 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.971 -0.292 . . . . 61.0 111.379 -174.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 18.0 pt20 -152.01 144.24 23.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.102 0.477 . . . . 61.0 111.658 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.5 m -128.1 -177.75 2.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.447 -0.797 . . . . 61.0 109.973 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.8 m -119.0 146.99 44.57 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.726 0.298 . . . . 61.0 110.638 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.82 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.0 mm? -94.62 159.09 34.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 110.129 -0.323 . . . . 61.0 110.129 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -70.08 -13.45 33.89 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.296 1.997 . . . . 61.0 110.041 171.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.409 ' OD1' ' HB3' ' A' ' 14' ' ' LEU . 2.5 m-20 -75.21 -15.44 60.55 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.508 -1.223 . . . . 61.0 110.092 176.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.49 2.56 63.45 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.632 -0.713 . . . . 61.0 111.723 -176.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.688 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -88.64 171.21 10.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.703 0.287 . . . . 61.0 111.028 -177.817 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.4 t -109.2 137.28 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.421 -0.354 . . . . 61.0 110.126 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.82 ' HB2' HD21 ' A' ' 14' ' ' LEU . 57.1 tp -126.33 101.23 6.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.998 0.427 . . . . 61.0 110.51 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 1.2 m -91.96 166.89 12.47 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.408 -0.59 . . . . 61.0 109.408 176.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.622 ' NH1' HG22 ' A' ' 50' ' ' ILE . 69.9 mtp85 -69.03 -21.66 64.1 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.77 -0.456 . . . . 61.0 109.77 176.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.48 -7.66 59.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.832 -0.622 . . . . 61.0 111.103 173.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -88.05 -8.7 55.17 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.392 -0.367 . . . . 61.0 110.438 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 68.0 mt -64.75 146.9 98.39 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.927 -0.579 . . . . 61.0 110.647 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HB3' ' HD3' ' A' ' 37' ' ' ARG . 37.0 Cg_endo -64.82 148.19 89.87 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.766 2.311 . . . . 61.0 112.257 -179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.478 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 9.7 Cg_endo -53.98 143.7 60.05 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.87 2.38 . . . . 61.0 112.508 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.1 mt -65.52 -24.77 67.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.806 -0.634 . . . . 61.0 111.588 -174.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -79.93 -6.56 57.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.128 -0.487 . . . . 61.0 111.23 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.478 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 99.9 m -68.24 102.64 1.4 Allowed 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 121.335 0.588 . . . . 61.0 110.934 178.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 11.6 tpt180 -103.63 -26.25 12.86 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.824 -1.176 . . . . 61.0 107.824 172.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -77.2 74.53 3.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.521 -1.218 . . . . 61.0 108.979 172.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -72.52 124.99 26.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.257 -0.883 . . . . 61.0 112.192 -175.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.4 m -105.5 158.43 6.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.241 -0.89 . . . . 61.0 109.358 172.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.05 -40.18 63.8 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.063 0.394 . . . . 61.0 112.063 -176.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -63.85 -37.81 88.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.472 -0.331 . . . . 61.0 111.382 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HD3' ' HB3' ' A' ' 26' ' ' PRO . 73.1 mtt180 -80.59 -28.98 36.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.733 0.302 . . . . 61.0 110.585 -178.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -64.0 -46.57 83.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.215 -0.448 . . . . 61.0 109.874 171.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.28 80.19 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.417 -0.811 . . . . 61.0 110.911 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.57 93.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.3 -0.409 . . . . 61.0 111.161 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.3 t -69.79 -50.26 50.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.442 -0.344 . . . . 61.0 111.265 -178.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.564 HG21 ' HA ' ' A' ' 70' ' ' ARG . 11.8 p -66.75 -40.92 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 61.0 111.263 -175.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.684 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.9 mttt -67.94 -29.24 68.25 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.348 -0.241 . . . . 61.0 110.348 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.42 92.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.494 -0.321 . . . . 61.0 110.864 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.497 HG22 HG13 ' A' ' 50' ' ' ILE . 44.1 t -70.35 -42.19 78.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.002 0.429 . . . . 61.0 110.94 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 42' ' ' VAL . 57.5 mt -64.04 -29.33 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.201 -0.454 . . . . 61.0 111.424 -177.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -90.6 -9.2 47.9 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.228 -0.295 . . . . 61.0 111.382 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.76 27.7 45.49 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.456 -0.878 . . . . 61.0 112.223 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD22 ' HG ' ' A' ' 20' ' ' LEU . 36.4 tp -78.71 -44.55 23.29 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.965 -0.754 . . . . 61.0 108.965 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.622 HG22 ' NH1' ' A' ' 22' ' ' ARG . 29.4 pt -130.7 164.19 34.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.876 -1.056 . . . . 61.0 108.632 174.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 54' ' ' GLU . 3.1 t -91.5 152.07 20.49 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.143 0.497 . . . . 61.0 110.204 176.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 10.8 tt0 -61.93 -35.94 79.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.654 -0.703 . . . . 61.0 110.324 -175.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.41 -33.57 76.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.522 -0.763 . . . . 61.0 110.005 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 52.0 tt0 -69.35 -43.72 73.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.932 -0.576 . . . . 61.0 110.285 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.74 94.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.964 0.411 . . . . 61.0 110.813 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 44.6 mt -66.13 -33.0 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.756 -0.656 . . . . 61.0 110.96 -179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -78.8 -53.64 6.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.296 -0.411 . . . . 61.0 111.218 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.1 ptm180 -67.61 -30.23 69.76 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.176 -0.465 . . . . 61.0 111.997 -174.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.478 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 52.9 m-85 -102.96 0.93 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.798 -0.361 . . . . 61.0 111.379 -178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 m 56.41 58.48 4.2 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.633 0.73 . . . . 61.0 110.52 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.55 HD22 ' HG2' ' A' ' 65' ' ' GLU . 93.8 mt -117.29 -175.69 2.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.16 -0.927 . . . . 61.0 110.084 -178.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -135.69 163.03 31.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.816 -0.629 . . . . 61.0 109.741 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -51.48 -47.73 63.1 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 123.324 0.39 . . . . 61.0 111.128 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 16.4 pt-20 -53.8 -37.49 63.57 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.511 0.507 . . . . 61.0 111.452 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.55 ' HG2' HD22 ' A' ' 61' ' ' LEU . 10.9 tp10 -70.67 -58.94 3.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.095 -0.502 . . . . 61.0 110.046 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -61.91 -33.37 74.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.955 -0.566 . . . . 61.0 111.09 -176.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HA ' ' HD2' ' A' ' 70' ' ' ARG . . . -61.71 -35.52 78.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.377 -0.374 . . . . 61.0 110.876 178.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 95.3 mt -72.74 -42.9 63.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.395 -0.366 . . . . 61.0 110.048 176.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 24.8 m0 -55.5 -50.47 69.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.95 -0.568 . . . . 61.0 110.812 178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.564 ' HA ' HG21 ' A' ' 42' ' ' VAL . 6.9 ptm180 -66.35 -31.23 71.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 61.0 110.76 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.544 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 6.9 t -75.6 -30.39 59.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.847 0.356 . . . . 61.0 110.752 -178.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -88.18 -42.96 11.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.439 -0.346 . . . . 61.0 111.565 -178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.5 t -81.06 -55.4 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 111.889 0.329 . . . . 61.0 111.889 -174.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.581 ' HB3' HD12 ' A' ' 92' ' ' LEU . . . -73.05 -38.7 66.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.819 0.342 . . . . 61.0 111.535 -174.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.584 ' HA ' ' HE1' ' A' ' 89' ' ' TYR . . . -89.71 24.64 2.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.086 0.47 . . . . 61.0 110.953 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 48.4 t60 -79.71 -17.17 54.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.951 -0.568 . . . . 61.0 110.09 178.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.91 52.45 3.96 Favored Glycine 0 C--N 1.332 0.356 0 N-CA-C 111.169 -0.772 . . . . 61.0 111.169 174.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 78' ' ' GLU . 8.5 pt-20 -89.86 -13.25 36.86 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 123.198 0.599 . . . . 61.0 111.698 -172.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -89.02 -18.98 26.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.22 -0.445 . . . . 61.0 110.612 -173.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -157.38 105.99 2.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.768 -0.651 . . . . 61.0 110.248 177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.56 ' HG ' ' HE2' ' A' ' 89' ' ' TYR . 11.1 mp -77.48 81.7 3.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.211 0.529 . . . . 61.0 110.519 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.634 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 24.3 tptm -69.72 153.95 42.66 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.389 -0.967 . . . . 61.0 108.389 172.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.482 ' HA ' HD13 ' A' ' 86' ' ' ILE . 9.4 p -50.57 -35.23 12.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 CA-C-O 120.921 0.391 . . . . 61.0 111.556 -178.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.608 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 11.7 m -63.65 -36.39 83.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.043 -0.526 . . . . 61.0 110.782 177.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.634 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 0.8 OUTLIER -68.13 -35.53 78.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.96 -0.564 . . . . 61.0 110.63 -177.531 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 82' ' ' LYS . 4.4 mp -64.62 -41.05 91.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 109.737 -0.468 . . . . 61.0 109.737 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -60.4 -41.72 94.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.872 -0.604 . . . . 61.0 109.763 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 84' ' ' THR . 13.2 mmtt -64.61 -38.74 92.03 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.948 -0.569 . . . . 61.0 110.436 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.584 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 18.6 m-85 -63.36 -35.33 80.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.475 -0.33 . . . . 61.0 111.11 178.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -74.56 -41.27 60.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.516 -0.311 . . . . 61.0 111.067 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -84.52 -7.04 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.257 0.551 . . . . 61.0 110.627 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' A' ' 74' ' ' ALA . 7.4 tt -70.15 -32.85 71.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.505 -0.77 . . . . 61.0 109.094 171.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -82.41 128.86 34.66 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.384 -0.825 . . . . 61.0 110.404 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -125.9 179.98 4.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.87 -0.604 . . . . 61.0 110.621 177.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.6 p80 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.793 -0.622 . . . . 61.0 109.349 179.45 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.691 ' HB3' ' HB3' ' A' ' 5' ' ' ARG . 12.7 tpt . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 109.563 -0.532 . . . . 61.0 109.563 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -60.03 130.92 49.11 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 110.113 -0.328 . . . . 61.0 110.113 177.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.2 mt 66.88 35.13 5.0 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.618 0.574 . . . . 61.0 110.16 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 67.69 -82.93 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.194 -0.912 . . . . 61.0 110.558 -175.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.691 ' HB3' ' HB3' ' A' ' 1' ' ' MET . 19.4 tpp180 64.16 124.77 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.931 0.769 . . . . 61.0 111.33 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 49.1 t -86.76 110.67 20.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.071 -0.513 . . . . 61.0 111.733 -174.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -136.78 119.13 15.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.758 -0.656 . . . . 61.0 109.504 171.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.65 -148.21 10.41 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.564 -0.827 . . . . 61.0 111.795 -178.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.75 140.3 26.03 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.959 2.439 . . . . 61.0 112.085 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -91.98 -10.63 38.65 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.263 -0.426 . . . . 61.0 110.105 175.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.5 pt20 -154.12 136.14 14.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.796 -0.638 . . . . 61.0 110.756 175.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.4 m -118.4 161.71 17.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.527 -0.761 . . . . 61.0 110.724 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -95.9 140.54 30.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.973 -0.558 . . . . 61.0 110.804 -177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.697 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.3 mm? -96.03 152.92 39.23 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.717 -0.475 . . . . 61.0 109.717 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -69.41 -9.59 26.64 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.269 1.979 . . . . 61.0 110.555 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.77 -5.43 59.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.645 -1.161 . . . . 61.0 109.824 177.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.51 17.3 64.42 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.67 -0.695 . . . . 61.0 112.232 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.6 m -101.05 168.69 9.44 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.107 -0.331 . . . . 61.0 110.107 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -118.12 127.57 75.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.639 -0.504 . . . . 61.0 109.639 175.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 35.1 tp -115.63 107.83 15.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.278 -0.419 . . . . 61.0 110.268 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.583 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 80.6 p -94.3 168.01 11.17 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.788 -0.449 . . . . 61.0 109.788 178.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.631 ' HE ' HG22 ' A' ' 50' ' ' ILE . 49.5 mtp180 -70.98 -10.56 59.95 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.898 0.38 . . . . 61.0 110.233 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.86 -12.46 22.11 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.865 -0.607 . . . . 61.0 110.72 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -85.14 -8.16 58.75 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.01 0.433 . . . . 61.0 110.072 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.518 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 65.6 mt -63.52 140.69 97.8 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.599 -0.728 . . . . 61.0 110.333 174.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.01 142.45 65.09 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.146 2.564 . . . . 61.0 111.837 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.09 156.88 52.31 Favored 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.589 2.192 . . . . 61.0 112.741 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.4 mt -67.33 -21.7 65.64 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.863 -0.608 . . . . 61.0 110.238 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.47 -20.61 66.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.207 -0.906 . . . . 61.0 111.311 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.621 HG21 ' HD3' ' A' ' 37' ' ' ARG . 52.9 m -67.35 115.21 6.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.478 0.656 . . . . 61.0 112.511 -178.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 15.7 tpt180 -108.01 -40.76 5.13 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.486 -0.779 . . . . 61.0 109.506 168.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -69.56 87.04 0.47 Allowed 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.486 0.66 . . . . 61.0 110.381 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.459 ' O ' ' HE2' ' A' ' 38' ' ' LYS . 97.1 m95 -76.79 100.09 5.36 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.394 -0.821 . . . . 61.0 111.489 177.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.15 172.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.824 -0.625 . . . . 61.0 109.718 173.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.3 -41.4 84.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.71 0.291 . . . . 61.0 111.45 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.3 m -58.87 -50.33 74.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.073 -0.512 . . . . 61.0 111.218 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.621 ' HD3' HG21 ' A' ' 30' ' ' THR . 89.0 mtt180 -70.4 -37.71 74.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.977 -0.556 . . . . 61.0 111.501 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' HE2' ' O ' ' A' ' 33' ' ' TRP . 63.7 mttm -61.47 -43.17 99.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 61.0 110.592 176.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -61.54 -42.93 99.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.848 -0.615 . . . . 61.0 111.357 -178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.46 -42.68 87.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.446 -0.343 . . . . 61.0 111.144 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.0 t -66.95 -49.43 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 61.0 111.337 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.9 p -66.85 -38.66 81.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.531 -0.304 . . . . 61.0 111.308 -176.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.697 ' HD3' HD12 ' A' ' 14' ' ' LEU . 98.8 mttt -67.55 -27.1 66.67 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.609 0.242 . . . . 61.0 110.708 179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.476 ' HB2' HD21 ' A' ' 25' ' ' LEU . . . -65.26 -50.82 64.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.359 . . . . 61.0 111.058 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 50' ' ' ILE . 54.5 t -67.18 -40.55 85.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.326 0.584 . . . . 61.0 109.904 177.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.412 HG23 ' CD ' ' A' ' 91' ' ' GLN . 4.3 mt -57.6 -37.5 58.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 114.995 -1.002 . . . . 61.0 112.241 -178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -95.26 4.26 53.69 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.663 -0.415 . . . . 61.0 111.698 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.76 15.77 78.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 61.0 112.888 176.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.4 tp -65.91 -51.19 60.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.685 0.755 . . . . 61.0 109.446 177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.631 HG22 ' HE ' ' A' ' 22' ' ' ARG . 37.4 pt -125.17 168.36 18.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.821 -1.081 . . . . 61.0 108.976 175.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.516 HG23 ' H ' ' A' ' 54' ' ' GLU . 6.1 t -90.54 152.42 20.92 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.438 0.637 . . . . 61.0 110.845 177.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 17.6 tt0 -56.89 -38.86 73.37 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.954 -1.021 . . . . 61.0 110.555 -177.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HD3' ' HA ' ' A' ' 53' ' ' ARG . 16.4 mmt180 -74.9 -21.15 59.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.424 -0.807 . . . . 61.0 111.152 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 42.5 tt0 -70.63 -45.94 64.27 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 109.484 -0.561 . . . . 61.0 109.484 175.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.48 93.13 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 61.0 110.733 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.549 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 32.7 mt -68.06 -26.51 65.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.616 . . . . 61.0 110.8 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -85.21 -55.99 3.76 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.965 -0.294 . . . . 61.0 111.638 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 15.6 ptm180 -65.09 -24.18 67.37 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.226 0.454 . . . . 61.0 112.226 -174.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.518 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 38.2 m-85 -114.29 4.87 15.58 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.63 -0.428 . . . . 61.0 111.155 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.8 p 47.93 63.12 2.16 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.912 0.863 . . . . 61.0 110.756 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 85.2 mt -109.21 147.49 32.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.858 -1.064 . . . . 61.0 109.686 -178.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.431 ' HB3' ' OE1' ' A' ' 64' ' ' GLU . 21.7 m -89.52 156.96 18.29 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.038 -0.528 . . . . 61.0 109.918 177.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -57.92 -41.32 82.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.524 -0.762 . . . . 61.0 110.752 -178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.552 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.8 pm0 -68.57 -32.48 72.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.808 -0.633 . . . . 61.0 110.819 179.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -62.7 -56.91 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.51 -0.552 . . . . 61.0 109.51 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.09 -33.2 73.99 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.998 -0.546 . . . . 61.0 110.767 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' A' ' 70' ' ' ARG . . . -59.44 -40.83 88.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.353 -0.385 . . . . 61.0 110.534 176.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 90.7 mt -65.8 -46.7 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 61.0 110.564 177.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -52.64 -48.84 66.15 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.089 -0.505 . . . . 61.0 111.101 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HA ' HG21 ' A' ' 42' ' ' VAL . 8.4 ptm180 -72.0 -30.79 65.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.406 -0.361 . . . . 61.0 110.783 -176.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 27.2 m -76.47 -17.89 59.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.976 0.417 . . . . 61.0 110.797 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.67 -42.66 8.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.38 -0.373 . . . . 61.0 111.511 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -89.65 -52.84 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 112.031 0.382 . . . . 61.0 112.031 -175.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.31 -28.3 56.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.815 0.34 . . . . 61.0 111.291 -175.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 71' ' ' SER . . . -91.26 8.79 34.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.174 -0.466 . . . . 61.0 110.645 177.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -75.31 113.54 12.8 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.754 -0.832 . . . . 61.0 108.754 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 112.24 19.66 7.04 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.8 -0.714 . . . . 61.0 111.719 -174.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -69.77 -5.02 22.57 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.294 0.568 . . . . 61.0 110.987 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -91.8 -2.27 56.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.745 -0.662 . . . . 61.0 110.376 178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -155.32 91.09 1.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.844 -0.616 . . . . 61.0 110.041 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.54 ' HG ' ' HE2' ' A' ' 89' ' ' TYR . 11.2 mp -74.17 83.89 1.84 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.388 0.614 . . . . 61.0 111.64 -176.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 85' ' ' MET . 87.1 tttt -73.3 156.82 38.05 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.016 -1.105 . . . . 61.0 108.016 168.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.39 -34.17 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 121.269 0.557 . . . . 61.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 5.7 m -67.04 -21.33 65.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.574 -0.739 . . . . 61.0 111.577 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.42 ' HB2' ' O ' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -78.53 -40.5 34.86 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.355 -0.384 . . . . 61.0 110.142 178.548 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.429 HD12 ' H ' ' A' ' 86' ' ' ILE . 4.0 mp -65.34 -40.91 89.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.413 -0.358 . . . . 61.0 110.186 -177.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.659 ' O ' ' HG2' ' A' ' 91' ' ' GLN . 6.1 tp-100 -55.62 -50.09 71.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.977 -0.556 . . . . 61.0 109.52 174.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.599 ' O ' ' HB2' ' A' ' 92' ' ' LEU . 35.6 mtmm -59.37 -35.69 74.37 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.858 -0.61 . . . . 61.0 111.416 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.54 ' HE2' ' HG ' ' A' ' 81' ' ' LEU . 20.5 m-85 -71.29 -29.25 64.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 61.0 111.168 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -77.23 -26.95 53.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.999 0.428 . . . . 61.0 110.447 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.659 ' HG2' ' O ' ' A' ' 87' ' ' GLN . 1.5 pt20 -99.97 14.83 29.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.987 0.899 . . . . 61.0 109.452 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.599 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 5.4 tt -114.71 117.09 29.83 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.716 -1.129 . . . . 61.0 108.709 177.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -94.75 113.55 25.34 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.811 -0.44 . . . . 61.0 109.811 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -138.26 175.28 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.065 -0.516 . . . . 61.0 110.564 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.1 p80 . . . . . 0 C--O 1.246 0.876 0 N-CA-C 109.403 -0.592 . . . . 61.0 109.403 172.757 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 111.482 0.178 . . . . 61.0 111.482 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -136.79 111.37 8.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.963 0.411 . . . . 61.0 111.474 -171.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.8 mt -92.15 104.27 16.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.923 -0.58 . . . . 61.0 110.221 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -75.42 -31.22 60.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.67 -0.695 . . . . 61.0 109.375 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.4 ttt-85 -134.29 100.45 4.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.502 -0.772 . . . . 61.0 109.041 173.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -70.77 93.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.144 0.497 . . . . 61.0 110.778 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.418 ' HB3' HH12 ' A' ' 10' ' ' ARG . 15.6 t70 -86.59 56.1 3.85 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.182 -0.673 . . . . 61.0 109.182 177.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.451 ' HA3' ' HD2' ' A' ' 22' ' ' ARG . . . 66.19 178.12 8.37 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.206 -0.907 . . . . 61.0 112.709 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.557 ' HD2' HD12 ' A' ' 49' ' ' LEU . 1.3 Cg_endo -84.25 19.85 1.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.091 2.527 . . . . 61.0 111.55 175.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.418 HH12 ' HB3' ' A' ' 7' ' ' ASP . 4.9 mmp_? 72.14 -55.05 0.68 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.686 0.794 . . . . 61.0 111.267 -176.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.442 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.7 pt20 -147.71 151.2 35.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.761 0.315 . . . . 61.0 110.956 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.2 m -130.01 165.66 29.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.575 . . . . 61.0 110.403 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.7 m -102.37 142.36 33.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.972 0.415 . . . . 61.0 110.949 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.677 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.1 mm? -96.03 151.15 38.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.287 -0.415 . . . . 61.0 109.932 176.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -69.11 -12.69 34.76 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.121 1.881 . . . . 61.0 110.016 171.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -76.91 -7.22 55.14 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 114.431 -1.259 . . . . 61.0 109.464 175.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.0 14.16 70.13 Favored Glycine 0 C--N 1.334 0.458 0 CA-C-N 115.776 -0.647 . . . . 61.0 112.332 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.589 ' HB ' HD23 ' A' ' 14' ' ' LEU . 2.1 m -98.96 167.71 10.57 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.57 0.224 . . . . 61.0 110.807 -177.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 89.3 t -114.02 123.55 69.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 109.682 -0.488 . . . . 61.0 109.682 174.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.677 ' HB2' HD21 ' A' ' 14' ' ' LEU . 46.8 tp -116.43 115.45 25.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.041 0.448 . . . . 61.0 110.229 -178.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 8.7 m -107.64 161.54 14.77 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.921 -0.582 . . . . 61.0 110.18 -179.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.604 ' NH1' HG22 ' A' ' 50' ' ' ILE . 75.1 mtp85 -65.92 -25.1 66.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.684 0.278 . . . . 61.0 111.59 -178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.39 -5.06 50.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.877 0.37 . . . . 61.0 110.566 176.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' HB3' ' H ' ' A' ' 21' ' ' SER . 35.4 t70 -88.71 -16.5 32.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.179 0.514 . . . . 61.0 109.85 178.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.8 mt -55.77 146.89 44.59 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 115.273 -0.876 . . . . 61.0 110.525 175.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.06 149.12 64.63 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.934 2.423 . . . . 61.0 112.477 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.606 ' O ' HG22 ' A' ' 30' ' ' THR . 19.4 Cg_endo -60.7 157.09 39.09 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.697 2.265 . . . . 61.0 111.56 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 58' ' ' ARG . 48.9 mt -74.15 -6.71 49.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.101 0.477 . . . . 61.0 110.931 -176.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.9 -13.2 54.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.813 -0.63 . . . . 61.0 111.764 -175.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 27' ' ' PRO . 7.2 t -71.95 111.47 7.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.894 0.854 . . . . 61.0 112.513 -171.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' A' ' 31' ' ' ARG . 16.1 mmm180 -104.56 -29.75 10.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.355 -0.839 . . . . 61.0 109.301 168.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -79.98 71.72 6.7 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.903 0.858 . . . . 61.0 109.386 174.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -67.1 103.29 1.16 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.011 -0.995 . . . . 61.0 112.087 -176.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.8 m -82.65 163.65 3.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.778 -0.646 . . . . 61.0 109.616 172.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.18 81.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.708 0.289 . . . . 61.0 111.186 -176.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 m -58.56 -37.09 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 61.0 111.458 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -80.14 -41.56 25.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.63 -0.259 . . . . 61.0 111.075 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -61.39 -45.3 94.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 61.0 110.749 177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.35 91.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.852 -0.613 . . . . 61.0 111.075 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -48.45 80.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.451 -0.341 . . . . 61.0 111.013 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.3 t -62.79 -49.62 82.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.151 -0.477 . . . . 61.0 111.266 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.576 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.0 p -68.75 -41.25 82.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.378 -0.373 . . . . 61.0 111.225 -176.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.527 ' HD3' HD12 ' A' ' 14' ' ' LEU . 44.0 mttm -65.56 -29.87 70.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.622 0.249 . . . . 61.0 110.354 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -61.95 -45.64 92.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.405 . . . . 61.0 110.6 178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.424 HG22 HG13 ' A' ' 50' ' ' ILE . 51.6 t -68.65 -40.31 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 61.0 110.878 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 42' ' ' VAL . 79.3 mt -67.32 -23.81 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 115.86 -0.609 . . . . 61.0 111.419 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -99.37 -7.42 26.23 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.835 0.309 . . . . 61.0 111.835 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.37 19.31 60.69 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.421 -0.895 . . . . 61.0 112.564 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.557 HD12 ' HD2' ' A' ' 9' ' ' PRO . 50.2 tp -73.89 -41.7 61.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.563 0.697 . . . . 61.0 109.256 176.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.604 HG22 ' NH1' ' A' ' 22' ' ' ARG . 33.7 pt -134.71 165.49 31.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 114.851 -1.068 . . . . 61.0 108.483 175.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.493 HG23 ' H ' ' A' ' 54' ' ' GLU . 3.1 t -93.32 154.29 18.07 Favored 'General case' 0 C--N 1.315 -0.928 0 C-N-CA 120.517 -0.473 . . . . 61.0 110.085 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.489 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 33.3 tt0 -55.45 -43.9 75.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.529 -0.76 . . . . 61.0 110.675 -177.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HD2' HD12 ' A' ' 56' ' ' LEU . 5.7 mmm180 -66.53 -32.38 73.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.784 -0.644 . . . . 61.0 111.301 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 34.6 tt0 -64.93 -42.87 94.31 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.667 -0.494 . . . . 61.0 109.667 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.05 99.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.221 0.534 . . . . 61.0 110.512 178.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 62.7 mt -69.35 -28.69 66.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.531 -0.759 . . . . 61.0 111.322 -178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -94.71 -24.53 17.09 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.879 0.696 . . . . 61.0 112.879 -175.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 11.7 ptm180 -84.43 -18.18 36.81 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.2 -0.6 . . . . 61.0 110.868 178.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.422 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 71.9 m-85 -117.37 0.88 12.31 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 121.049 -0.26 . . . . 61.0 111.314 178.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.3 m 59.15 38.36 23.71 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.275 0.56 . . . . 61.0 111.314 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.54 HD22 ' HG2' ' A' ' 65' ' ' GLU . 93.3 mt -91.93 167.2 12.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.82 -0.627 . . . . 61.0 111.171 -176.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.7 m -105.56 163.5 12.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.685 -0.689 . . . . 61.0 109.948 175.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.49 -38.29 89.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 120.677 0.275 . . . . 61.0 110.668 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.49 -28.53 70.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.438 -0.346 . . . . 61.0 111.096 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.54 ' HG2' HD22 ' A' ' 61' ' ' LEU . 7.6 tp10 -67.27 -56.87 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.01 -0.737 . . . . 61.0 109.01 176.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -59.64 -32.42 70.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.079 -0.964 . . . . 61.0 110.621 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' A' ' 70' ' ' ARG . . . -61.43 -41.15 96.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 61.0 110.927 177.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.72 -42.58 86.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.274 -0.421 . . . . 61.0 110.168 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -58.81 -54.25 49.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.799 -0.637 . . . . 61.0 111.069 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.576 ' HA ' HG21 ' A' ' 42' ' ' VAL . 11.2 ptm180 -64.61 -26.92 68.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.438 -0.346 . . . . 61.0 111.117 -177.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.0 t -72.91 -43.63 62.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 61.0 110.232 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.629 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -78.66 -39.36 37.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.17 -0.468 . . . . 61.0 111.879 -175.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.4 t -79.18 -43.58 24.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.053 0.39 . . . . 61.0 112.053 -174.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.23 -42.18 32.03 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.889 -0.324 . . . . 61.0 111.491 -175.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' ' 92' ' ' LEU . . . -84.21 16.33 3.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.846 0.355 . . . . 61.0 111.304 -176.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.629 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 40.9 t-80 -102.01 6.2 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.131 0.491 . . . . 61.0 109.769 177.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.03 78.05 0.78 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.692 -0.766 . . . . 61.0 111.345 176.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.454 ' OE2' ' HG3' ' A' ' 79' ' ' LYS . 0.1 OUTLIER -96.49 -14.46 22.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.11 0.481 . . . . 61.0 110.981 -175.677 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.454 ' HG3' ' OE2' ' A' ' 78' ' ' GLU . 55.8 mttp -78.57 -50.47 11.48 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.928 -0.578 . . . . 61.0 111.89 -172.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -130.57 125.31 33.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.839 0.352 . . . . 61.0 111.248 -175.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.7 mp -125.04 89.36 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.893 -0.594 . . . . 61.0 110.196 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.534 ' O ' HD12 ' A' ' 86' ' ' ILE . 86.2 tttt -71.02 154.22 41.98 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.597 -0.89 . . . . 61.0 108.597 173.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.9 p -54.41 -29.46 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-O 121.264 0.554 . . . . 61.0 111.333 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.0 m -76.11 -23.46 54.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.262 0.553 . . . . 61.0 111.139 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 58.7 mtt -76.78 -32.09 57.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.705 -0.68 . . . . 61.0 111.27 -175.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 82' ' ' LYS . 4.4 mp -59.13 -38.06 71.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 61.0 110.324 178.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -51.41 -49.6 61.28 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.416 0.627 . . . . 61.0 110.737 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.651 ' HA ' ' HE3' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -64.06 -31.62 72.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.323 -0.853 . . . . 61.0 110.483 -178.8 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -82.16 -18.6 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 61.0 111.223 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 86' ' ' ILE . 21.7 mtm180 -83.38 -23.34 32.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.756 0.313 . . . . 61.0 110.47 177.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -100.1 14.49 30.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.438 0.637 . . . . 61.0 109.843 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.424 HD11 ' HB2' ' A' ' 75' ' ' ALA . 5.8 tt -60.03 -47.69 84.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.856 -1.066 . . . . 61.0 111.097 -178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -107.63 -49.87 3.16 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.835 0.35 . . . . 61.0 110.271 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -146.57 -91.13 0.09 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.217 -0.447 . . . . 61.0 110.337 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.2 m80 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 117.862 -1.066 . . . . 61.0 109.348 -175.573 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.693 ' HG2' ' H ' ' A' ' 2' ' ' TYR . 12.7 ttt . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 108.997 -0.742 . . . . 61.0 108.997 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.693 ' H ' ' HG2' ' A' ' 1' ' ' MET . 61.0 m-85 -76.69 -66.33 0.83 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.741 0.305 . . . . 61.0 111.096 -176.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.64 -41.49 23.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.585 0.707 . . . . 61.0 109.275 177.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -86.52 77.62 9.38 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.227 -0.897 . . . . 61.0 109.48 176.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -123.19 143.9 49.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.243 -0.435 . . . . 61.0 110.258 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -70.68 129.23 34.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.639 -0.504 . . . . 61.0 109.639 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -69.91 108.22 3.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.206 0.527 . . . . 61.0 111.055 -178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.68 149.58 21.06 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.424 -0.807 . . . . 61.0 111.231 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.47 160.01 50.95 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.86 2.373 . . . . 61.0 112.153 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -81.6 -23.88 36.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.834 -0.621 . . . . 61.0 110.05 176.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.587 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.9 pt20 -154.49 143.0 20.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.74 -0.664 . . . . 61.0 110.846 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.0 m -122.65 161.51 23.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.958 -0.564 . . . . 61.0 110.345 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 m -96.37 141.57 29.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.897 0.38 . . . . 61.0 110.955 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -91.87 142.8 26.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 109.53 -0.544 . . . . 61.0 109.53 174.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.452 ' HD3' ' CE1' ' A' ' 47' ' ' HIS . 23.4 Cg_exo -63.82 -8.96 17.05 Favored 'Trans proline' 0 CA--C 1.527 0.146 0 C-N-CA 122.663 2.242 . . . . 61.0 110.94 172.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -85.24 -2.44 58.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.105 -0.952 . . . . 61.0 110.036 177.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.16 59.21 3.44 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.526 -0.629 . . . . 61.0 111.526 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.401 ' HB ' HD23 ' A' ' 14' ' ' LEU . 8.6 m -150.51 166.47 30.11 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.58 -0.526 . . . . 61.0 109.58 -177.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -111.56 130.47 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.686 0.279 . . . . 61.0 110.67 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.74 ' HB2' HD21 ' A' ' 14' ' ' LEU . 61.1 tp -119.06 99.22 6.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.009 -0.541 . . . . 61.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.587 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 87.0 p -89.36 172.23 9.17 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.284 -0.636 . . . . 61.0 109.284 176.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -70.12 -13.49 62.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.289 0.566 . . . . 61.0 110.055 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.07 -7.06 52.82 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.921 -0.581 . . . . 61.0 110.859 177.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.467 ' HB2' HD12 ' A' ' 20' ' ' LEU . 10.8 m-20 -87.88 -4.69 58.83 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.183 -0.462 . . . . 61.0 110.429 177.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.448 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 85.3 mt -68.92 148.14 97.89 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.736 -0.666 . . . . 61.0 110.306 175.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.77 150.16 88.57 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.56 2.173 . . . . 61.0 111.697 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -68.67 166.1 27.18 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.755 2.303 . . . . 61.0 112.945 -177.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.32 -13.81 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.903 -0.589 . . . . 61.0 111.084 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -80.91 0.29 35.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.527 . . . . 61.0 110.449 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 37' ' ' ARG . 99.8 m -83.65 120.04 25.49 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.609 0.719 . . . . 61.0 111.795 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -128.73 -31.16 2.23 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.872 -1.058 . . . . 61.0 108.698 174.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.413 ' C ' ' HD3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -78.19 79.74 4.63 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 107.917 -1.142 . . . . 61.0 107.917 171.448 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -75.46 110.72 10.06 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.359 -0.837 . . . . 61.0 112.042 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.3 m -89.94 170.48 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.636 -0.711 . . . . 61.0 109.925 172.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.27 -44.69 92.42 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.864 0.32 . . . . 61.0 111.864 -175.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 p -60.93 -41.35 96.06 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.999 0.428 . . . . 61.0 111.447 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.591 ' HD3' HG21 ' A' ' 30' ' ' THR . 76.4 mtt180 -71.03 -38.41 72.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 61.0 111.286 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -65.28 -42.27 93.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.883 0.373 . . . . 61.0 110.474 176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.38 98.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.837 -0.619 . . . . 61.0 111.333 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.29 92.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.714 0.293 . . . . 61.0 110.994 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.99 -52.79 49.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.354 -0.385 . . . . 61.0 111.128 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.577 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -66.49 -40.16 85.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.322 -0.399 . . . . 61.0 111.32 -175.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.496 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.2 mttt -65.19 -31.58 72.84 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 120.616 0.246 . . . . 61.0 110.735 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.76 -45.05 95.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.276 -0.42 . . . . 61.0 110.379 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.68 -46.13 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.276 -0.42 . . . . 61.0 110.763 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 42' ' ' VAL . 74.5 mt -62.03 -30.14 48.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 116.025 -0.534 . . . . 61.0 111.7 -177.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.452 ' CE1' ' HD3' ' A' ' 15' ' ' PRO . 74.9 m-70 -92.96 -13.41 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.936 -0.306 . . . . 61.0 111.572 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.67 9.12 58.99 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.479 -0.867 . . . . 61.0 113.395 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.524 HD22 ' HG ' ' A' ' 20' ' ' LEU . 50.0 tp -62.77 -42.24 99.6 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.593 0.711 . . . . 61.0 109.715 178.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.708 ' HB ' ' HG2' ' A' ' 54' ' ' GLU . 46.4 pt -133.82 177.24 7.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.021 -0.991 . . . . 61.0 108.862 175.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.627 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 3.5 t -106.09 158.0 17.13 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.893 -0.41 . . . . 61.0 109.893 175.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.571 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 30.6 tt0 -57.53 -40.79 79.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.153 0.501 . . . . 61.0 110.281 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.576 HH11 ' HB2' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -66.29 -27.43 67.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 61.0 109.95 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.708 ' HG2' ' HB ' ' A' ' 50' ' ' ILE . 3.5 tp10 -66.4 -51.55 55.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.581 -0.736 . . . . 61.0 109.717 177.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.92 -46.51 81.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.712 -0.677 . . . . 61.0 111.109 -176.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 77.7 mt -60.58 -35.47 76.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.838 -0.619 . . . . 61.0 111.335 -177.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.576 ' HB2' HH11 ' A' ' 53' ' ' ARG . 30.7 t70 -79.97 -48.6 13.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.898 0.38 . . . . 61.0 111.534 -175.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -70.64 -35.51 72.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 61.0 111.799 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.448 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 45.4 m-85 -97.37 -4.55 38.22 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 121.069 -0.252 . . . . 61.0 111.022 -177.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.3 t 60.96 73.55 0.48 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.479 0.657 . . . . 61.0 109.851 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 88.8 mt -131.82 156.64 45.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.431 -0.804 . . . . 61.0 110.414 -178.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 m -102.74 159.27 15.62 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.101 -0.5 . . . . 61.0 109.663 176.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -60.45 -38.5 84.36 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.717 -0.219 . . . . 61.0 110.713 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.04 -36.74 80.35 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.942 0.401 . . . . 61.0 110.684 177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.434 ' HG2' HD22 ' A' ' 61' ' ' LEU . 15.1 tp10 -66.24 -53.77 33.04 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.318 -0.623 . . . . 61.0 109.318 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.473 ' O ' ' HG2' ' A' ' 70' ' ' ARG . 54.7 t80 -60.28 -34.11 73.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.548 -0.751 . . . . 61.0 110.548 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.49 91.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.234 -0.439 . . . . 61.0 110.708 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -61.54 -44.31 97.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 61.0 110.11 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -58.9 -55.41 35.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.91 -0.586 . . . . 61.0 111.175 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.577 ' HA ' HG21 ' A' ' 42' ' ' VAL . 1.3 ptm180 -66.29 -33.08 74.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.421 -0.354 . . . . 61.0 111.465 -177.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.1 t -71.3 -36.2 71.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.948 0.404 . . . . 61.0 110.272 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.24 -53.66 18.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 61.0 110.921 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.552 HG21 HG11 ' A' ' 42' ' ' VAL . 85.2 t -64.7 -41.13 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.865 -0.607 . . . . 61.0 111.562 -176.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.58 ' HA ' ' HD2' ' A' ' 88' ' ' LYS . . . -63.29 -48.1 79.5 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.786 0.327 . . . . 61.0 111.302 179.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.722 ' HA ' ' HB3' ' A' ' 78' ' ' GLU . . . -76.51 -13.34 60.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.063 -0.517 . . . . 61.0 111.43 -177.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -70.36 101.28 1.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.745 -0.835 . . . . 61.0 108.745 174.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.92 50.02 8.21 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.889 -0.885 . . . . 61.0 110.889 -171.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.722 ' HB3' ' HA ' ' A' ' 75' ' ' ALA . 8.8 pt-20 -84.29 -14.31 50.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.661 0.267 . . . . 61.0 111.216 -176.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -84.26 -16.0 44.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.024 0.44 . . . . 61.0 110.524 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -93.78 82.21 4.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.938 -0.574 . . . . 61.0 110.4 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.65 76.21 10.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.217 0.532 . . . . 61.0 110.506 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -71.36 156.82 39.05 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.863 -0.792 . . . . 61.0 108.863 173.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.56 -12.68 7.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.071 0.462 . . . . 61.0 111.578 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.0 m -112.72 16.83 19.49 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.391 0.615 . . . . 61.0 110.526 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.534 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 15.5 mmt -113.92 -4.33 13.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 61.0 111.908 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.584 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 5.2 mp -71.8 -27.65 28.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.864 -0.421 . . . . 61.0 109.864 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -56.34 -39.71 73.29 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.007 -0.542 . . . . 61.0 111.588 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.58 ' HD2' ' HA ' ' A' ' 74' ' ' ALA . 54.7 pttt -71.71 -11.12 60.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.996 0.427 . . . . 61.0 110.485 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.539 ' CZ ' ' HE3' ' A' ' 88' ' ' LYS . 19.5 m-85 -99.78 -9.26 23.18 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.677 -0.49 . . . . 61.0 109.677 174.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 86' ' ' ILE . 30.2 mmm180 -84.19 -33.6 24.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 61.0 109.871 178.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -70.63 -10.15 58.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.432 0.634 . . . . 61.0 110.056 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.9 tt -60.35 -33.44 72.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.42 -0.809 . . . . 61.0 110.739 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -99.51 26.64 5.92 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.046 0.45 . . . . 61.0 109.98 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 75.84 -76.3 0.06 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.017 -0.992 . . . . 61.0 111.579 177.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.7 t-80 . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.605 -0.712 . . . . 61.0 109.789 -176.21 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 mmt . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 110.185 -0.302 . . . . 61.0 110.185 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -90.62 -82.82 0.27 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.614 -0.266 . . . . 61.0 110.73 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.6 mp 64.53 -85.08 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.971 -0.559 . . . . 61.0 111.328 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -127.7 3.11 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.556 0.694 . . . . 61.0 110.079 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -132.24 129.15 39.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.603 -0.726 . . . . 61.0 110.242 -175.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.21 75.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.036 -0.728 . . . . 61.0 109.036 176.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -88.22 -24.49 23.26 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.148 -0.933 . . . . 61.0 111.021 -175.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.24 -177.15 23.91 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.636 -0.792 . . . . 61.0 111.953 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.67 160.93 27.97 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.989 2.459 . . . . 61.0 112.117 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -76.13 -22.69 55.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.306 0.574 . . . . 61.0 109.912 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.576 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 13.2 pt20 -149.06 138.09 21.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.271 -0.877 . . . . 61.0 110.582 -178.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.442 HG21 ' HB2' ' A' ' 47' ' ' HIS . 19.5 m -118.56 149.57 20.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.841 -0.618 . . . . 61.0 110.364 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 14' ' ' LEU . 26.2 m -85.99 136.21 33.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.296 -0.411 . . . . 61.0 111.111 -178.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -79.14 160.15 71.52 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 108.849 -0.797 . . . . 61.0 108.849 172.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -60.08 -20.35 60.63 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.31 2.007 . . . . 61.0 111.864 178.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -77.67 -22.52 50.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.234 -0.894 . . . . 61.0 111.179 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.16 -2.11 37.85 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.803 -0.713 . . . . 61.0 111.329 -174.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.426 ' HB ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -75.13 166.69 23.26 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 122.291 0.236 . . . . 61.0 110.944 178.625 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.9 t -107.68 131.52 57.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.105 0.479 . . . . 61.0 111.134 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.667 ' HB2' HD21 ' A' ' 14' ' ' LEU . 67.7 tp -119.88 99.12 6.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.612 -0.722 . . . . 61.0 109.517 175.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.576 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 94.0 p -95.51 173.81 7.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.369 -0.378 . . . . 61.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.482 ' HG3' HD11 ' A' ' 49' ' ' LEU . 79.8 mtt180 -73.25 -12.09 60.74 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.332 -0.395 . . . . 61.0 110.757 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.15 -8.68 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.999 -0.546 . . . . 61.0 110.243 173.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -86.03 -17.32 35.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.926 -0.579 . . . . 61.0 110.315 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -57.9 137.2 83.52 Favored Pre-proline 0 C--O 1.235 0.317 0 CA-C-N 116.032 -0.531 . . . . 61.0 110.909 176.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.41 155.05 64.56 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.006 2.471 . . . . 61.0 112.128 178.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 59.3 Cg_endo -69.66 156.78 62.71 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.717 2.278 . . . . 61.0 112.609 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.4 mt -74.26 -14.52 60.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.329 0.585 . . . . 61.0 109.92 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -74.8 -4.26 36.63 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.181 -0.918 . . . . 61.0 110.484 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.406 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 89.8 m -77.2 111.3 12.67 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.858 -0.61 . . . . 61.0 111.539 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 tpt180 -106.64 -38.62 6.08 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.502 -0.925 . . . . 61.0 108.502 170.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -75.14 84.93 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.405 -0.816 . . . . 61.0 109.594 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -75.07 108.4 7.78 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.497 -0.774 . . . . 61.0 112.074 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.29 161.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.307 -0.861 . . . . 61.0 109.739 173.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.8 70.79 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.308 0.38 . . . . 61.0 111.938 -175.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.2 m -55.19 -47.1 75.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.199 0.523 . . . . 61.0 110.871 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.472 ' O ' HG23 ' A' ' 41' ' ' VAL . 91.6 mtt180 -76.97 -34.18 57.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.717 -0.674 . . . . 61.0 110.678 -176.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.28 -46.53 83.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 61.0 110.765 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.22 -44.81 92.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.699 -0.682 . . . . 61.0 111.281 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.03 86.53 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.408 -0.36 . . . . 61.0 111.274 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 37' ' ' ARG . 90.2 t -66.14 -52.15 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.943 0.401 . . . . 61.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.2 p -68.13 -38.95 80.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.201 -0.454 . . . . 61.0 111.384 -175.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.22 -29.25 70.03 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.75 0.309 . . . . 61.0 110.35 178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.65 73.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.875 -0.602 . . . . 61.0 110.439 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.89 -43.0 96.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.18 0.514 . . . . 61.0 110.477 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.85 -48.58 88.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.816 -0.629 . . . . 61.0 111.541 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.442 ' HB2' HG21 ' A' ' 12' ' ' VAL . 53.0 m-70 -77.34 -3.89 42.34 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.989 0.366 . . . . 61.0 111.989 -176.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.21 23.69 53.98 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.387 -0.911 . . . . 61.0 112.72 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD11 ' HG3' ' A' ' 22' ' ' ARG . 52.1 tp -75.9 -46.15 31.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.372 0.606 . . . . 61.0 109.474 177.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 35.0 pt -132.9 172.73 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.959 -1.019 . . . . 61.0 109.218 174.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 54' ' ' GLU . 5.0 t -98.49 157.31 16.3 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.922 0.391 . . . . 61.0 110.61 177.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 37.4 tt0 -58.66 -46.11 87.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.99 -0.55 . . . . 61.0 110.675 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -31.94 73.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.746 -0.661 . . . . 61.0 111.013 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.518 ' H ' HG23 ' A' ' 51' ' ' THR . 12.2 tp10 -59.52 -48.24 82.4 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.499 -0.556 . . . . 61.0 109.499 176.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.99 76.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.594 -0.73 . . . . 61.0 110.962 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.567 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 75.0 mt -58.22 -44.45 88.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.119 -0.491 . . . . 61.0 111.111 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.33 -54.57 16.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.383 -0.371 . . . . 61.0 111.84 -178.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 12.3 ptp180 -73.08 -21.65 60.73 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.147 0.425 . . . . 61.0 112.147 -171.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.45 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 47.6 m-85 -110.21 4.08 20.65 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.589 -0.444 . . . . 61.0 111.86 -177.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 10.1 t 61.65 37.46 15.99 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.311 0.577 . . . . 61.0 110.437 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.567 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 71.2 mt -96.58 144.85 26.26 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.862 -0.608 . . . . 61.0 110.414 -177.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.3 m -99.86 165.39 11.58 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.979 -0.555 . . . . 61.0 109.803 176.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -54.23 -49.57 69.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 61.0 111.23 -178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.0 -25.97 67.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.054 -0.521 . . . . 61.0 111.272 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -69.39 -56.23 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.505 -0.554 . . . . 61.0 109.505 176.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -62.39 -30.8 71.46 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.748 -0.66 . . . . 61.0 110.504 -178.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.42 90.48 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.092 -0.504 . . . . 61.0 110.439 175.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -47.16 78.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 61.0 110.41 177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 17.4 m0 -54.8 -54.19 45.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.768 -0.651 . . . . 61.0 111.554 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.556 ' HA ' HG21 ' A' ' 42' ' ' VAL . 13.6 ptm180 -67.99 -25.81 65.6 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.968 -0.293 . . . . 61.0 111.397 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 60.4 m -73.81 -38.08 64.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 61.0 110.585 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.99 -19.16 57.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 61.0 111.593 -176.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.1 t -100.76 -52.97 8.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 111.788 0.292 . . . . 61.0 111.788 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.57 -41.69 54.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.772 0.32 . . . . 61.0 111.201 -175.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 71' ' ' SER . . . -90.73 17.55 7.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.988 0.423 . . . . 61.0 110.607 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -71.01 -27.48 63.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.829 -0.623 . . . . 61.0 109.928 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.34 80.76 0.32 Allowed Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.769 -0.932 . . . . 61.0 110.769 175.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -102.09 -25.57 13.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.892 0.377 . . . . 61.0 111.076 -174.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -71.22 -42.06 69.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.04 -0.527 . . . . 61.0 111.559 -172.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.49 124.27 44.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.419 -0.355 . . . . 61.0 110.88 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.7 mp -82.96 63.37 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.323 0.583 . . . . 61.0 110.242 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.591 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 83.0 tttt -64.07 149.74 46.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.189 -0.914 . . . . 61.0 109.046 174.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.427 ' HA ' HD13 ' A' ' 86' ' ' ILE . 9.4 p -52.22 -30.24 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 121.173 0.511 . . . . 61.0 111.868 -175.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.429 ' H ' ' HG2' ' A' ' 82' ' ' LYS . 3.4 m -80.1 -12.46 59.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.885 -0.598 . . . . 61.0 111.297 -178.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.591 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 0.4 OUTLIER -88.03 -26.65 22.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.285 -0.416 . . . . 61.0 111.097 -178.294 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 83' ' ' VAL . 4.0 mp -66.16 -37.92 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.596 -0.52 . . . . 61.0 109.596 177.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -51.62 -44.19 62.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.501 -0.772 . . . . 61.0 110.156 170.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -65.38 -46.5 79.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.121 -0.945 . . . . 61.0 110.399 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -63.56 -40.74 97.76 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.482 -0.327 . . . . 61.0 110.934 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -65.25 -35.43 81.02 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.309 -0.405 . . . . 61.0 111.601 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -100.55 12.95 36.22 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.454 0.645 . . . . 61.0 110.57 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 tp -92.43 -49.87 5.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.403 -0.817 . . . . 61.0 109.59 173.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -64.92 110.62 2.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.919 -1.037 . . . . 61.0 111.378 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -72.32 167.07 21.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.798 -0.637 . . . . 61.0 110.062 175.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.051 -0.976 . . . . 61.0 109.262 174.081 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttt . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.877 0.37 . . . . 61.0 110.691 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -155.34 151.91 28.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.938 -0.574 . . . . 61.0 109.518 -176.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.8 tt -58.75 -66.27 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.408 0.442 . . . . 61.0 110.781 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -89.75 107.24 18.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.293 0.568 . . . . 61.0 110.968 -176.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -139.33 123.59 18.06 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.826 -0.805 . . . . 61.0 108.826 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 72.0 t -68.46 104.74 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.212 0.529 . . . . 61.0 110.496 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -92.43 108.56 20.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.538 -0.756 . . . . 61.0 109.816 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 110.96 161.86 17.66 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.053 -0.594 . . . . 61.0 112.374 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 49' ' ' LEU . 3.3 Cg_exo -76.08 178.73 7.1 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.976 2.451 . . . . 61.0 111.935 177.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -78.17 -24.66 47.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.5 -0.318 . . . . 61.0 111.822 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.567 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 12.4 pt20 -150.7 148.07 28.13 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.07 -0.252 . . . . 61.0 111.135 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.4 m -129.81 158.56 42.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.066 -0.515 . . . . 61.0 110.06 174.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -102.03 138.31 39.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.392 -0.367 . . . . 61.0 110.588 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.595 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -85.61 151.7 56.09 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.699 -0.482 . . . . 61.0 109.699 176.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.11 -16.78 49.9 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.51 2.14 . . . . 61.0 110.809 174.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.78 -22.02 50.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.812 -1.086 . . . . 61.0 110.942 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.78 -1.15 34.0 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.59 -0.814 . . . . 61.0 111.79 -177.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.64 164.86 20.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.612 0.244 . . . . 61.0 111.111 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.2 t -115.2 130.25 70.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 110.216 -0.291 . . . . 61.0 110.216 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.595 ' HB2' HD21 ' A' ' 14' ' ' LEU . 59.8 tp -122.83 104.12 9.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.329 -0.396 . . . . 61.0 110.239 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.567 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 92.0 p -98.79 171.34 8.15 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.85 -0.426 . . . . 61.0 109.85 177.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' NH1' HG22 ' A' ' 50' ' ' ILE . 72.8 mtp85 -69.84 -4.82 21.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.049 0.452 . . . . 61.0 110.716 178.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.55 -2.35 28.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 61.0 110.596 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' HB2' HD12 ' A' ' 20' ' ' LEU . 7.1 m-20 -89.94 -12.1 39.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.227 -0.442 . . . . 61.0 110.482 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.2 mt -57.74 131.31 82.51 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.778 -0.647 . . . . 61.0 110.596 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -55.58 161.93 7.05 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.785 2.99 . . . . 61.0 112.824 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.486 ' HG2' ' HB ' ' A' ' 30' ' ' THR . 11.1 Cg_endo -54.09 134.05 58.22 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.048 2.499 . . . . 61.0 112.296 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.532 HD22 ' HB2' ' A' ' 58' ' ' ARG . 53.5 mt -61.25 -34.03 74.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.905 -0.589 . . . . 61.0 111.427 -176.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.696 ' HA ' ' NH1' ' A' ' 31' ' ' ARG . 1.1 m-20 -101.06 32.19 3.32 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.469 -0.332 . . . . 61.0 111.452 -176.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.486 ' HB ' ' HG2' ' A' ' 27' ' ' PRO . 10.0 t -67.41 -44.45 78.77 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.17 -0.212 . . . . 61.0 111.466 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.696 ' NH1' ' HA ' ' A' ' 29' ' ' ASP . 9.4 mpt_? 65.75 -69.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.296 0.638 . . . . 61.0 112.113 -179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -77.72 82.14 4.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.478 0.656 . . . . 61.0 109.964 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -65.76 129.71 40.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.741 -1.118 . . . . 61.0 112.769 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.2 m -103.77 164.28 3.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.599 . . . . 61.0 109.533 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.57 -41.53 73.46 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.503 0.557 . . . . 61.0 112.503 -173.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 m -64.17 -44.8 90.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.363 -0.381 . . . . 61.0 111.606 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -70.72 -35.62 72.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.608 -0.269 . . . . 61.0 110.52 -177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.12 -44.56 97.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.999 0.428 . . . . 61.0 110.399 174.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.89 -46.05 88.76 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.417 -0.81 . . . . 61.0 111.141 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.69 -44.22 85.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.47 -0.332 . . . . 61.0 111.315 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 82.4 t -67.11 -48.86 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.414 -0.357 . . . . 61.0 111.392 -178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.4 p -66.45 -37.13 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.718 -0.393 . . . . 61.0 110.945 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.39 -34.14 77.49 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 110.242 -0.281 . . . . 61.0 110.242 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.41 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -61.67 -46.42 89.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.501 . . . . 61.0 110.691 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.516 HG22 HG13 ' A' ' 50' ' ' ILE . 58.2 t -74.24 -34.36 37.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.569 -0.287 . . . . 61.0 111.259 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.4 mt -67.59 -42.82 87.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.496 0.189 . . . . 61.0 111.2 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -80.06 -11.61 59.75 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.962 -0.295 . . . . 61.0 111.036 -178.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.68 21.17 34.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 61.0 113.027 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 50.5 tp -71.95 -42.15 66.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.241 0.543 . . . . 61.0 110.141 178.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.516 HG13 HG22 ' A' ' 45' ' ' VAL . 43.4 pt -138.29 166.61 23.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.33 -0.85 . . . . 61.0 109.925 177.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.548 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 1.8 t -91.07 159.16 16.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.129 0.49 . . . . 61.0 110.222 174.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.55 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 23.9 tt0 -58.87 -43.76 90.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.78 -0.645 . . . . 61.0 110.175 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.56 -29.41 69.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 61.0 110.764 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.548 ' HB3' ' O ' ' A' ' 51' ' ' THR . 7.6 tp10 -58.73 -47.84 83.22 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.328 -0.619 . . . . 61.0 109.328 175.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.95 -48.77 62.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.42 -0.809 . . . . 61.0 111.173 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 85.3 mt -57.4 -40.11 77.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.063 -0.517 . . . . 61.0 111.701 -177.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.82 -55.22 13.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.719 0.266 . . . . 61.0 111.719 -178.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.532 ' HB2' HD22 ' A' ' 28' ' ' LEU . 12.6 ptp180 -66.34 -29.12 69.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.209 0.448 . . . . 61.0 112.209 -173.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -101.63 -1.08 33.58 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.908 -0.317 . . . . 61.0 111.6 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.4 t 58.1 39.65 25.93 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.313 0.577 . . . . 61.0 110.439 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.559 HD22 ' HG2' ' A' ' 65' ' ' GLU . 97.6 mt -94.15 168.63 10.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.941 -0.572 . . . . 61.0 111.225 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 m -112.6 159.19 19.1 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.313 -0.858 . . . . 61.0 109.608 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -57.15 -41.59 79.42 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.08 -0.509 . . . . 61.0 111.365 -178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.594 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 8.7 pt-20 -57.06 -38.27 73.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.19 -0.459 . . . . 61.0 111.586 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.559 ' HG2' HD22 ' A' ' 61' ' ' LEU . 14.4 tp10 -65.22 -54.65 26.26 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.544 -0.539 . . . . 61.0 109.544 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -60.95 -38.36 85.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.767 -0.652 . . . . 61.0 110.79 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.485 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . . . -56.9 -38.23 72.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 61.0 110.988 176.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 97.4 mt -67.94 -44.56 76.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.322 -0.399 . . . . 61.0 110.285 179.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 27.6 m0 -54.53 -51.17 65.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.799 -0.637 . . . . 61.0 110.623 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.485 ' NE ' ' HA ' ' A' ' 67' ' ' ALA . 8.8 ptt180 -68.5 -31.05 70.05 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.017 -0.273 . . . . 61.0 111.499 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.0 m -65.46 -32.33 73.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.939 0.4 . . . . 61.0 110.625 177.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.461 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -87.3 -47.88 8.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.289 -0.414 . . . . 61.0 112.006 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.0 t -77.14 -46.14 29.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.378 0.51 . . . . 61.0 112.378 -173.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.79 -44.77 69.41 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.74 -0.384 . . . . 61.0 110.902 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.74 11.08 7.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 61.0 111.193 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 37.9 t-80 -72.69 102.87 3.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.085 -0.507 . . . . 61.0 109.64 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.55 39.91 28.79 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.861 -0.685 . . . . 61.0 112.087 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.458 ' HA ' ' OH ' ' A' ' 89' ' ' TYR . 10.4 pt-20 -67.61 -17.69 64.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.914 0.388 . . . . 61.0 111.137 -177.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -79.03 -10.84 59.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 61.0 111.634 -177.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 85' ' ' MET . . . -108.39 95.81 5.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.761 0.315 . . . . 61.0 110.821 -178.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 mp -98.11 87.78 4.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.993 0.425 . . . . 61.0 111.287 -177.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.499 ' O ' HD12 ' A' ' 86' ' ' ILE . 21.0 tptm -87.8 161.44 17.56 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.308 -0.997 . . . . 61.0 108.308 171.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -46.92 -40.4 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 N-CA-C 112.74 0.644 . . . . 61.0 112.74 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.3 m -81.39 -17.26 49.59 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.22 0.533 . . . . 61.0 111.407 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.554 ' O ' ' HG2' ' A' ' 88' ' ' LYS . 42.9 tpp -72.7 -24.78 61.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.243 -0.435 . . . . 61.0 110.846 -175.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 82' ' ' LYS . 4.1 mp -62.36 -23.88 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.295 -0.412 . . . . 61.0 110.785 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.96 -42.86 85.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.314 -0.403 . . . . 61.0 111.227 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 85' ' ' MET . 18.6 ptpt -71.13 -13.16 61.86 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.937 -0.305 . . . . 61.0 110.933 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.458 ' OH ' ' HA ' ' A' ' 78' ' ' GLU . 26.0 m-85 -97.59 -37.91 9.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.494 -0.321 . . . . 61.0 111.058 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 90' ' ' ARG . 3.7 mmp_? -88.22 -29.2 20.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.468 -0.333 . . . . 61.0 111.89 -175.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -85.12 -10.92 56.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.621 0.724 . . . . 61.0 109.342 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.79 119.37 16.94 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 114.867 -1.06 . . . . 61.0 110.514 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -99.04 128.29 45.15 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.791 -0.641 . . . . 61.0 109.32 171.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -77.85 138.46 38.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.959 -0.564 . . . . 61.0 111.832 -169.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 65.2 t60 . . . . . 0 C--O 1.246 0.877 0 CA-C-N 115.506 -0.77 . . . . 61.0 109.207 173.406 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.444 0.164 . . . . 61.0 111.383 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -95.27 115.41 27.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.925 0.393 . . . . 61.0 110.539 -176.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 3' ' ' LEU . 4.2 mm? -82.73 58.53 4.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.525 0.679 . . . . 61.0 111.133 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -84.19 -31.68 24.97 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.447 -0.797 . . . . 61.0 109.043 174.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.5 mtm-85 -85.37 94.12 8.89 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-O 122.165 0.984 . . . . 61.0 110.585 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.73 87.57 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 CA-C-N 113.52 -1.673 . . . . 61.0 109.928 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -97.19 -176.55 3.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.705 -0.68 . . . . 61.0 110.109 -176.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 146.66 -113.76 0.68 Allowed Glycine 0 N--CA 1.448 -0.503 0 N-CA-C 111.328 -0.709 . . . . 61.0 111.328 -176.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.39 94.34 0.76 Allowed 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.223 1.949 . . . . 61.0 111.773 176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.26 -22.97 35.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.39 -0.368 . . . . 61.0 110.683 -179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.6 pt20 -141.63 142.6 33.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 61.0 110.825 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.45 148.85 31.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.968 -0.56 . . . . 61.0 110.112 174.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.0 m -89.56 130.34 35.89 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.175 0.512 . . . . 61.0 110.886 -179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -78.84 143.93 63.23 Favored Pre-proline 0 C--N 1.321 -0.65 0 N-CA-C 108.706 -0.849 . . . . 61.0 108.706 172.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.627 ' HD3' ' CE1' ' A' ' 47' ' ' HIS . 55.5 Cg_endo -73.57 -4.82 16.07 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.12 1.88 . . . . 61.0 109.284 173.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.59 -10.07 59.3 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 113.806 -1.543 . . . . 61.0 108.854 173.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.78 47.99 5.39 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.665 -0.698 . . . . 61.0 111.873 -177.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.4 m -143.04 166.33 24.94 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.922 -0.399 . . . . 61.0 109.922 -175.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.1 t -111.57 127.81 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.683 0.278 . . . . 61.0 110.683 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.668 ' HB2' HD21 ' A' ' 14' ' ' LEU . 57.1 tp -116.73 108.47 15.93 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.766 -0.457 . . . . 61.0 109.766 177.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 23.0 p -99.56 163.26 12.58 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.92 -0.582 . . . . 61.0 110.614 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.423 ' HG3' HD11 ' A' ' 49' ' ' LEU . 91.9 mtt180 -65.21 -27.12 68.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.352 -0.385 . . . . 61.0 111.04 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.64 -8.1 59.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.195 -0.457 . . . . 61.0 110.893 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -93.0 -9.03 41.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.11 0.481 . . . . 61.0 110.361 -178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.47 153.19 61.82 Favored Pre-proline 0 C--O 1.236 0.374 0 CA-C-N 115.708 -0.678 . . . . 61.0 110.891 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -68.1 148.21 74.83 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.536 2.157 . . . . 61.0 111.814 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -65.24 158.59 51.49 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.879 2.386 . . . . 61.0 112.717 -176.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.8 mt -71.11 -10.38 59.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.259 0.552 . . . . 61.0 110.756 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.17 -3.57 46.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.607 0.718 . . . . 61.0 110.149 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 85.8 m -86.66 92.43 8.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.801 -0.636 . . . . 61.0 112.223 -176.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -99.48 -24.05 14.9 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.541 -1.281 . . . . 61.0 107.541 161.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.432 ' HG2' ' H ' ' A' ' 32' ' ' ARG . 14.7 ptt180 -72.19 70.86 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 113.867 -1.515 . . . . 61.0 109.731 168.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.95 109.01 9.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.258 -0.883 . . . . 61.0 111.893 -175.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.3 m -88.82 163.18 2.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.697 -0.683 . . . . 61.0 109.918 172.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.05 71.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.451 0.537 . . . . 61.0 112.451 -173.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.7 m -66.71 -36.33 82.23 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.957 0.354 . . . . 61.0 111.957 -176.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' O ' HG23 ' A' ' 41' ' ' VAL . 93.4 mtt180 -69.89 -35.97 75.06 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.067 -0.253 . . . . 61.0 110.472 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -65.17 -42.68 93.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.99 0.424 . . . . 61.0 110.106 173.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.65 -39.2 93.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.807 -0.633 . . . . 61.0 111.265 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.44 98.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.75 0.309 . . . . 61.0 111.061 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 37' ' ' ARG . 90.1 t -67.4 -46.73 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 61.0 111.388 -178.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.541 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.9 p -65.51 -39.06 83.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.899 -0.32 . . . . 61.0 111.085 -177.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.534 ' HD3' HD12 ' A' ' 14' ' ' LEU . 97.1 mttt -68.83 -32.99 73.08 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 109.941 -0.392 . . . . 61.0 109.941 177.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -60.73 -44.76 96.24 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.906 0.384 . . . . 61.0 110.922 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.1 t -69.35 -42.48 81.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.251 -0.431 . . . . 61.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.517 ' HA ' ' OE1' ' A' ' 91' ' ' GLN . 74.3 mt -71.69 -29.12 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.962 -0.563 . . . . 61.0 111.822 -176.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.627 ' CE1' ' HD3' ' A' ' 15' ' ' PRO . 71.7 m-70 -89.36 -5.01 57.84 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 121.966 -0.459 . . . . 61.0 111.467 179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.07 27.35 37.56 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.464 -0.874 . . . . 61.0 112.919 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD22 ' HG ' ' A' ' 20' ' ' LEU . 47.5 tp -80.11 -47.49 14.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.632 0.73 . . . . 61.0 109.296 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.7 pt -130.2 -179.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 114.728 -1.124 . . . . 61.0 108.575 175.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.564 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 2.8 t -106.32 158.11 17.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.03 0.443 . . . . 61.0 110.845 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 11.0 tt0 -62.9 -38.55 91.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.788 -0.642 . . . . 61.0 110.41 -176.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -63.82 -37.74 88.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.309 -0.859 . . . . 61.0 109.155 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.564 ' HB3' ' O ' ' A' ' 51' ' ' THR . 6.8 tp10 -59.42 -49.82 76.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.378 -0.828 . . . . 61.0 110.5 178.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.41 92.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.94 0.4 . . . . 61.0 111.274 -176.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 21.6 mt -71.04 -31.87 68.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.185 -0.461 . . . . 61.0 110.94 -178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -80.77 -50.16 10.21 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.399 -0.364 . . . . 61.0 111.403 -175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 10.1 ptm85 -66.2 -38.25 87.54 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.504 -0.316 . . . . 61.0 111.823 -175.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.429 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . 44.1 m-85 -97.09 -0.89 46.36 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.068 -0.253 . . . . 61.0 111.251 -177.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.1 t 61.17 34.78 18.74 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.112 -0.495 . . . . 61.0 110.574 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 95.8 mt -80.4 -177.74 6.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.726 -0.67 . . . . 61.0 111.414 -176.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.8 m -124.53 156.93 36.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.639 -0.709 . . . . 61.0 110.064 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -57.22 -44.85 84.14 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.603 -0.726 . . . . 61.0 110.7 -177.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 7.7 pt-20 -62.26 -36.98 83.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.469 -0.787 . . . . 61.0 111.702 -179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -66.92 -54.89 17.6 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.824 -0.436 . . . . 61.0 109.824 -178.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -61.93 -31.43 71.74 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.433 -0.349 . . . . 61.0 110.769 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.27 -37.52 83.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.902 0.382 . . . . 61.0 110.513 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 93.6 mt -68.71 -42.56 77.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 61.0 110.146 176.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -54.3 -52.55 61.13 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.028 -0.533 . . . . 61.0 110.664 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.541 ' HA ' HG21 ' A' ' 42' ' ' VAL . 6.2 ptm180 -69.67 -24.53 63.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.868 -0.605 . . . . 61.0 111.255 -174.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.503 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 49.3 m -80.99 -29.39 35.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.871 0.367 . . . . 61.0 110.83 179.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.12 -16.92 44.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.434 -0.348 . . . . 61.0 111.454 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.1 t -116.52 -62.65 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.732 0.301 . . . . 61.0 111.785 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.563 ' O ' ' HD3' ' A' ' 88' ' ' LYS . . . -72.53 -38.56 67.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.785 0.326 . . . . 61.0 111.415 -175.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.546 ' HA ' ' HE1' ' A' ' 89' ' ' TYR . . . -81.74 -8.18 59.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.861 0.362 . . . . 61.0 111.05 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -83.84 78.47 9.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.247 0.546 . . . . 61.0 110.533 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.6 26.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.323 0 N-CA-C 110.921 -0.871 . . . . 61.0 110.921 176.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.39 9.36 1.74 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.808 -0.696 . . . . 61.0 112.695 -172.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -92.67 -54.31 3.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.95 0.405 . . . . 61.0 110.352 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -148.07 107.71 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.066 -0.516 . . . . 61.0 110.051 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.86 90.56 1.12 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.433 0.635 . . . . 61.0 111.213 -176.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.561 ' O ' HD12 ' A' ' 86' ' ' ILE . 40.6 ttmt -68.9 153.84 43.08 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.024 -0.989 . . . . 61.0 108.95 171.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.573 ' HA ' HD13 ' A' ' 86' ' ' ILE . 14.6 p -51.83 -33.62 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 112.147 0.425 . . . . 61.0 112.147 -175.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.4 m -73.73 -12.72 60.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.398 0.618 . . . . 61.0 111.376 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.428 ' O ' ' HB2' ' A' ' 88' ' ' LYS . 65.4 mtt -94.61 -23.44 17.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.075 -0.511 . . . . 61.0 111.523 -176.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.573 HD13 ' HA ' ' A' ' 83' ' ' VAL . 4.0 mp -67.64 -36.84 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.908 -0.317 . . . . 61.0 110.757 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -63.47 -28.43 69.96 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 121.071 -0.251 . . . . 61.0 110.553 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HD3' ' O ' ' A' ' 74' ' ' ALA . 95.5 mttt -57.59 -46.84 83.53 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-O 121.397 0.618 . . . . 61.0 109.695 174.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.546 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 38.2 m-85 -81.77 -15.56 53.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.221 -0.899 . . . . 61.0 111.489 -175.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -90.77 -16.26 28.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.608 0.242 . . . . 61.0 111.514 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.517 ' OE1' ' HA ' ' A' ' 46' ' ' ILE . 14.2 tt0 -109.87 -4.26 16.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.369 0.604 . . . . 61.0 110.059 178.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 4.9 tt -83.67 109.46 17.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.796 -0.638 . . . . 61.0 109.87 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -111.99 129.25 56.26 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.848 -0.615 . . . . 61.0 109.721 175.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 66.42 108.94 0.04 OUTLIER 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.629 0.728 . . . . 61.0 112.395 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.0 p80 . . . . . 0 C--O 1.245 0.817 0 N-CA-C 109.076 -0.713 . . . . 61.0 109.076 170.005 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 120.683 0.278 . . . . 61.0 110.566 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -144.53 113.13 6.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.211 -0.45 . . . . 61.0 110.857 178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.5 tp -87.15 -39.91 15.09 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.976 -0.75 . . . . 61.0 108.976 172.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -152.91 101.47 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.193 -0.912 . . . . 61.0 109.888 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.452 ' HD3' ' OD2' ' A' ' 7' ' ' ASP . 11.6 ttm180 -78.17 136.41 37.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.925 -0.58 . . . . 61.0 110.866 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 6' ' ' VAL . 6.4 p -134.69 81.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 122.121 0.963 . . . . 61.0 109.824 171.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.452 ' OD2' ' HD3' ' A' ' 5' ' ' ARG . 36.9 p30 -97.3 -8.46 29.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.293 -0.867 . . . . 61.0 110.718 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.8 112.84 4.54 Favored Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 110.968 -0.853 . . . . 61.0 110.968 174.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.53 142.5 84.74 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.758 2.306 . . . . 61.0 111.973 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 72.0 mtp180 -86.58 -26.97 24.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.045 0.45 . . . . 61.0 110.108 177.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 4.0 pt20 -150.75 141.25 22.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.645 -0.707 . . . . 61.0 110.911 -179.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 20' ' ' LEU . 17.4 m -128.35 170.97 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.714 -0.675 . . . . 61.0 109.634 174.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.2 m -109.61 134.94 51.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.743 0.306 . . . . 61.0 111.164 -176.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.656 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.3 mm? -78.61 154.63 78.7 Favored Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 109.437 -0.579 . . . . 61.0 109.437 174.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.594 ' HB2' HD13 ' A' ' 92' ' ' LEU . 40.5 Cg_endo -67.69 -9.98 27.27 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.406 2.071 . . . . 61.0 112.257 179.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -88.99 -25.65 21.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.796 -0.638 . . . . 61.0 110.251 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.94 -8.87 9.14 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.787 -0.642 . . . . 61.0 112.093 -177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.581 ' HB ' HD23 ' A' ' 14' ' ' LEU . 1.3 m -73.77 164.18 26.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.638 0.256 . . . . 61.0 111.037 -179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.0 t -108.69 137.25 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 110.017 -0.364 . . . . 61.0 110.017 177.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.656 ' HB2' HD21 ' A' ' 14' ' ' LEU . 66.9 tp -122.3 103.5 8.8 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.034 -0.358 . . . . 61.0 110.034 178.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.537 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 99.0 p -96.94 168.97 10.15 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.85 -0.426 . . . . 61.0 109.85 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.552 ' NH1' HG22 ' A' ' 50' ' ' ILE . 50.9 mtp85 -72.6 -5.78 39.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.072 0.463 . . . . 61.0 110.387 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -87.35 -15.37 38.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.961 -0.563 . . . . 61.0 109.877 174.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -82.2 -22.17 36.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 61.0 110.315 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.5 mt -58.48 128.73 83.4 Favored Pre-proline 0 C--O 1.233 0.218 0 CA-C-N 115.801 -0.636 . . . . 61.0 110.7 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.67 154.97 56.55 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.096 2.53 . . . . 61.0 112.433 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 31.7 Cg_endo -63.72 164.12 22.4 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.836 2.357 . . . . 61.0 112.929 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.2 mt -83.62 -9.12 59.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.838 -0.619 . . . . 61.0 111.087 -174.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -90.91 0.46 57.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.124 -0.489 . . . . 61.0 110.969 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.409 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 87.6 m -78.82 109.66 13.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.474 -0.33 . . . . 61.0 111.301 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -105.31 -28.78 10.7 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.808 -0.442 . . . . 61.0 109.808 170.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -76.18 76.83 3.0 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.994 -0.743 . . . . 61.0 108.994 172.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -72.47 107.23 4.91 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.073 -0.967 . . . . 61.0 111.85 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.8 m -89.75 159.96 2.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.571 -0.74 . . . . 61.0 109.575 174.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.98 -40.97 70.62 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 123.349 0.406 . . . . 61.0 111.987 -175.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.0 m -63.98 -35.44 80.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.341 -0.39 . . . . 61.0 111.585 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 41' ' ' VAL . 92.8 mtt180 -80.76 -34.97 33.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.607 0.241 . . . . 61.0 110.573 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.86 -43.52 98.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.028 0.442 . . . . 61.0 110.156 174.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.454 ' HB1' ' HE3' ' A' ' 43' ' ' LYS . . . -58.66 -49.66 76.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.376 -0.829 . . . . 61.0 111.269 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.54 73.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.685 0.279 . . . . 61.0 111.475 -178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 37' ' ' ARG . 84.2 t -70.18 -53.41 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.818 0.342 . . . . 61.0 111.292 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.3 p -65.97 -39.08 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.337 -0.392 . . . . 61.0 111.12 -176.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HE3' ' HB1' ' A' ' 39' ' ' ALA . 98.4 mttt -66.59 -31.05 71.5 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.704 0.287 . . . . 61.0 110.396 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -47.52 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.303 -0.408 . . . . 61.0 110.3 177.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 65.2 t -62.97 -45.23 99.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.934 -0.575 . . . . 61.0 110.46 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.33 -29.84 45.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 115.632 -0.713 . . . . 61.0 112.026 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.474 ' HE1' ' HB3' ' A' ' 93' ' ' HIS . 87.2 m-70 -98.48 -7.53 28.3 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.916 -0.314 . . . . 61.0 111.77 -178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.9 10.05 67.26 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.514 -0.85 . . . . 61.0 112.812 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.3 tp -63.49 -45.5 90.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.689 0.757 . . . . 61.0 108.987 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.552 HG22 ' NH1' ' A' ' 22' ' ' ARG . 29.9 pt -132.79 171.03 18.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.687 -1.142 . . . . 61.0 108.085 172.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.496 HG23 ' H ' ' A' ' 54' ' ' GLU . 5.1 t -104.78 157.37 17.25 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.503 -0.479 . . . . 61.0 110.027 176.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.3 tt0 -56.58 -40.18 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.396 0.617 . . . . 61.0 110.245 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.51 ' O ' ' HD3' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -64.67 -32.37 74.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.204 -0.907 . . . . 61.0 109.835 -178.719 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 60.9 tt0 -73.77 -37.71 64.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.881 -0.6 . . . . 61.0 110.155 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.77 -46.28 79.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.888 0.375 . . . . 61.0 110.346 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.535 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 52.0 mt -62.49 -34.79 77.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.774 -0.648 . . . . 61.0 109.893 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.8 -60.44 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.18 -0.918 . . . . 61.0 111.617 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 9.4 ptm180 -69.42 -28.66 66.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.86 0.689 . . . . 61.0 112.86 -172.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -107.57 5.91 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.57 -0.452 . . . . 61.0 111.972 -176.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.7 m 53.89 51.67 14.37 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.434 0.635 . . . . 61.0 110.473 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.546 HD22 ' HG2' ' A' ' 65' ' ' GLU . 97.5 mt -106.73 150.96 25.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.562 -0.745 . . . . 61.0 111.078 -176.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.467 ' HB2' ' HG2' ' A' ' 64' ' ' GLU . 31.6 m -104.76 162.43 13.31 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.359 -0.837 . . . . 61.0 109.098 172.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.99 -34.67 73.63 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.426 -0.352 . . . . 61.0 110.994 -177.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.467 ' HG2' ' HB2' ' A' ' 62' ' ' SER . 11.1 pt-20 -53.37 -32.56 49.93 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.033 -0.531 . . . . 61.0 111.409 176.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.546 ' HG2' HD22 ' A' ' 61' ' ' LEU . 20.0 tp10 -82.81 -57.21 3.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.242 0.544 . . . . 61.0 109.829 -179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -60.21 -34.35 73.52 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.649 -0.705 . . . . 61.0 111.511 -174.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.83 -39.89 90.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.539 -0.3 . . . . 61.0 110.701 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.26 -40.96 81.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 61.0 110.25 179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.424 ' NE1' ' HG3' ' A' ' 65' ' ' GLU . 25.1 m0 -54.95 -50.7 68.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.099 -0.5 . . . . 61.0 110.817 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 22.5 ptt180 -72.15 -25.07 61.56 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.997 -0.281 . . . . 61.0 111.756 -178.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.534 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 39.8 m -75.39 -26.35 58.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.944 0.402 . . . . 61.0 110.435 177.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.32 -48.19 7.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.348 -0.387 . . . . 61.0 111.62 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 78.8 t -80.56 -51.42 15.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.484 -0.326 . . . . 61.0 111.769 -174.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 70' ' ' ARG . . . -78.06 -2.48 37.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.169 0.509 . . . . 61.0 111.36 -175.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 71' ' ' SER . . . -126.02 20.46 7.61 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.008 -0.542 . . . . 61.0 110.11 175.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -71.27 110.48 5.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.835 -0.62 . . . . 61.0 109.974 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.25 92.94 0.18 Allowed Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.606 -0.807 . . . . 61.0 112.402 -178.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 78' ' ' GLU . 1.0 OUTLIER -78.23 -16.09 58.16 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.933 -0.765 . . . . 61.0 108.933 173.163 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -88.61 -60.29 2.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.67 -1.15 . . . . 61.0 110.476 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -167.95 159.18 11.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.406 -0.361 . . . . 61.0 110.876 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.1 mp -133.69 66.54 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.291 0.567 . . . . 61.0 109.645 174.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.878 ' HB3' ' HB2' ' A' ' 85' ' ' MET . 80.6 tttt -67.67 141.65 56.62 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.826 -0.805 . . . . 61.0 108.826 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.568 ' HA ' HD12 ' A' ' 86' ' ' ILE . 9.8 p -51.19 -39.79 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.144 0.424 . . . . 61.0 112.144 -172.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.2 m -78.68 -30.18 46.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.556 0.693 . . . . 61.0 110.924 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.878 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . 8.7 ttt -67.63 -35.04 78.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.153 -0.93 . . . . 61.0 110.554 -175.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 83' ' ' VAL . 3.2 mt -61.29 -41.79 91.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 116.257 -0.428 . . . . 61.0 110.839 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -59.17 -44.41 92.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.171 0.51 . . . . 61.0 110.032 178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -90.81 16.69 8.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.927 -0.579 . . . . 61.0 111.258 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -92.88 -54.78 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.626 -0.879 . . . . 61.0 108.626 162.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -69.9 -25.01 63.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.726 -1.124 . . . . 61.0 110.935 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -125.75 24.69 7.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.422 -0.354 . . . . 61.0 110.49 -175.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.594 HD13 ' HB2' ' A' ' 15' ' ' PRO . 1.6 tt -54.03 -59.71 4.29 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.95 -0.568 . . . . 61.0 109.924 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.474 ' HB3' ' HE1' ' A' ' 47' ' ' HIS . 8.4 t60 -106.7 84.89 2.07 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.631 -0.878 . . . . 61.0 108.631 174.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -91.98 -20.55 21.25 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.666 -0.697 . . . . 61.0 110.462 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.7 p80 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 117.787 -1.101 . . . . 61.0 110.359 178.886 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.483 1.22 0 N-CA-C 110.422 -0.214 . . . . 61.0 110.422 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 66.33 -79.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.768 0.668 . . . . 61.0 109.865 -175.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.2 mp -129.14 -92.62 0.45 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.995 -0.743 . . . . 61.0 108.995 168.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? 65.17 -77.5 0.04 OUTLIER 'General case' 0 C--O 1.231 0.111 0 O-C-N 123.843 0.715 . . . . 61.0 110.03 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 170.61 131.19 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 124.118 0.886 . . . . 61.0 109.245 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -118.25 125.44 74.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.482 -0.562 . . . . 61.0 109.482 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -70.31 -39.27 74.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 61.0 111.693 -177.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.81 -175.92 14.17 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.598 -0.81 . . . . 61.0 111.851 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.88 167.52 19.41 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.611 2.207 . . . . 61.0 111.808 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -75.75 -27.3 58.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.516 -0.311 . . . . 61.0 111.025 178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.602 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.8 pt20 -154.92 146.58 23.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.908 0.385 . . . . 61.0 111.581 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.16 168.68 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.689 -0.687 . . . . 61.0 110.695 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 8.3 m -105.86 139.33 40.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.26 -0.427 . . . . 61.0 110.851 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.656 HD12 ' HD3' ' A' ' 43' ' ' LYS . 3.3 mm? -89.29 146.92 37.09 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.14 -0.482 . . . . 61.0 109.941 176.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.21 -11.36 30.95 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.641 2.227 . . . . 61.0 110.542 172.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -81.1 -8.49 59.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.941 -1.027 . . . . 61.0 109.914 177.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.3 41.61 7.36 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.837 -0.619 . . . . 61.0 111.994 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.0 m -132.02 167.46 19.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.699 -0.482 . . . . 61.0 109.699 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.2 t -113.22 131.6 64.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 110.191 -0.3 . . . . 61.0 110.191 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.626 ' HB2' HD21 ' A' ' 14' ' ' LEU . 44.0 tp -123.23 103.29 8.44 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.889 0.376 . . . . 61.0 110.36 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.602 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 3.2 m -91.73 165.47 13.27 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.982 -0.554 . . . . 61.0 109.576 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -64.8 -16.59 63.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.115 0.483 . . . . 61.0 110.614 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.65 -4.64 37.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.823 -0.626 . . . . 61.0 111.282 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -93.24 -0.36 56.82 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.254 0.549 . . . . 61.0 110.409 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.543 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . 77.2 mt -67.7 156.74 88.31 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.467 -0.788 . . . . 61.0 110.561 177.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.75 155.66 36.5 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.784 2.322 . . . . 61.0 111.735 176.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.578 ' HG2' ' OG1' ' A' ' 30' ' ' THR . 18.8 Cg_endo -57.36 147.03 79.94 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.862 2.375 . . . . 61.0 112.508 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD22 ' HB2' ' A' ' 58' ' ' ARG . 94.0 mt -65.29 -24.71 67.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.949 -0.569 . . . . 61.0 111.512 -176.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.621 ' HA ' ' NH2' ' A' ' 31' ' ' ARG . 28.5 t70 -93.61 25.58 3.45 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.542 0.687 . . . . 61.0 110.738 -178.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.578 ' OG1' ' HG2' ' A' ' 27' ' ' PRO . 88.7 m -81.49 104.56 12.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.17 -0.468 . . . . 61.0 109.901 173.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.621 ' NH2' ' HA ' ' A' ' 29' ' ' ASP . 2.1 tpp180 -110.19 161.18 15.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.033 -0.728 . . . . 61.0 109.033 175.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 33' ' ' TRP . 4.1 tmt_? 75.63 -53.58 0.64 Allowed 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.667 0.605 . . . . 61.0 109.655 -177.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.4 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 86.8 m95 74.43 156.73 0.18 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 122.058 0.932 . . . . 61.0 113.275 172.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 32.3 m -134.63 164.71 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 114.621 -1.172 . . . . 61.0 108.661 173.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.85 -45.59 82.31 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.278 0.473 . . . . 61.0 112.278 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -59.87 -40.34 88.29 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.979 0.362 . . . . 61.0 111.979 -176.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -74.63 -36.27 62.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 61.0 110.354 -178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 34' ' ' VAL . 98.7 mttt -62.48 -43.56 98.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.97 -0.559 . . . . 61.0 110.187 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HA ' HG12 ' A' ' 42' ' ' VAL . . . -58.63 -40.94 84.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.554 -0.748 . . . . 61.0 111.1 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.18 90.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.38 -0.373 . . . . 61.0 111.024 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.8 t -71.4 -47.54 58.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.302 -0.408 . . . . 61.0 111.191 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.572 HG21 ' HA ' ' A' ' 70' ' ' ARG . 14.8 p -68.12 -36.93 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.622 -0.263 . . . . 61.0 111.129 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.656 ' HD3' HD12 ' A' ' 14' ' ' LEU . 95.5 mttt -63.05 -37.21 86.29 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.091 -0.337 . . . . 61.0 110.091 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.487 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -59.03 -46.85 87.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 61.0 111.012 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.681 HG11 ' HG3' ' A' ' 52' ' ' GLU . 58.3 t -69.91 -43.87 79.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.514 -0.312 . . . . 61.0 111.354 -178.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.9 mt -67.21 -27.26 38.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.307 -0.406 . . . . 61.0 111.7 -176.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -87.9 -7.95 56.46 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.73 -0.388 . . . . 61.0 111.175 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.93 9.98 61.83 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.62 -0.8 . . . . 61.0 112.756 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.47 HD22 ' HG ' ' A' ' 20' ' ' LEU . 49.5 tp -67.53 -62.14 1.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.089 0.471 . . . . 61.0 110.371 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 31.6 pt -120.32 160.62 20.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.868 -0.606 . . . . 61.0 110.078 179.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.458 ' O ' ' HB3' ' A' ' 54' ' ' GLU . 2.0 t -88.11 154.64 20.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.079 -0.51 . . . . 61.0 110.661 176.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.681 ' HG3' HG11 ' A' ' 45' ' ' VAL . 3.3 mt-10 -52.54 -42.96 64.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.851 -0.613 . . . . 61.0 110.871 176.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -64.1 -28.41 69.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.612 -0.722 . . . . 61.0 110.823 -177.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' A' ' 51' ' ' THR . 7.1 tp10 -68.18 -52.56 33.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 61.0 109.658 175.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.13 -44.27 92.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.887 -0.597 . . . . 61.0 111.406 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.575 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 41.2 mt -66.01 -33.58 76.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.94 -0.573 . . . . 61.0 111.049 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -78.34 -50.49 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.179 -0.464 . . . . 61.0 111.482 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HB2' HD22 ' A' ' 28' ' ' LEU . 10.7 ptm85 -71.39 -32.46 68.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.664 -0.698 . . . . 61.0 112.131 -172.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.543 ' OH ' ' HB3' ' A' ' 25' ' ' LEU . 41.4 m-85 -103.28 -2.07 27.76 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.744 -0.382 . . . . 61.0 111.734 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 43.5 m 60.77 71.51 0.56 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.516 0.674 . . . . 61.0 110.203 -176.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 73.9 mt -127.26 152.92 46.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.379 -0.828 . . . . 61.0 110.502 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 m -97.7 161.91 13.53 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 61.0 109.52 176.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -58.11 -44.97 87.99 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.118 0.485 . . . . 61.0 110.545 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 9.9 pt-20 -61.16 -25.89 67.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.47 -0.786 . . . . 61.0 111.538 -179.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.532 ' HG2' HD22 ' A' ' 61' ' ' LEU . 13.8 tp10 -70.19 -57.32 5.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.25 0.548 . . . . 61.0 109.529 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -63.75 -31.0 72.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.79 -0.641 . . . . 61.0 110.597 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.23 -40.34 85.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.899 0.381 . . . . 61.0 110.589 176.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 96.9 mt -68.26 -45.36 73.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.968 -0.56 . . . . 61.0 110.237 177.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 25.3 m0 -54.94 -52.09 64.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.175 -0.466 . . . . 61.0 110.954 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.572 ' HA ' HG21 ' A' ' 42' ' ' VAL . 10.4 ptm180 -69.12 -22.58 63.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.976 -0.556 . . . . 61.0 111.537 -175.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.7 m -80.47 -42.86 21.83 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.699 0.285 . . . . 61.0 110.514 175.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 76' ' ' HIS . . . -66.84 -34.34 77.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 61.0 111.478 -175.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.448 HG21 HG11 ' A' ' 42' ' ' VAL . 99.0 t -81.43 -53.82 11.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.091 -0.504 . . . . 61.0 111.099 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.25 91.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.055 0.391 . . . . 61.0 112.055 -173.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.14 -12.21 60.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.955 0.407 . . . . 61.0 110.887 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 5.0 t60 -92.04 -22.01 20.18 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.735 -0.468 . . . . 61.0 109.735 177.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -94.13 -8.98 59.81 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.839 -0.696 . . . . 61.0 112.717 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.58 ' HA ' ' OH ' ' A' ' 89' ' ' TYR . 10.0 pt-20 -82.02 23.66 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.945 0.402 . . . . 61.0 111.261 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -100.53 -5.63 26.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.327 0.584 . . . . 61.0 109.789 173.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -131.27 100.58 5.23 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.349 -0.841 . . . . 61.0 110.029 179.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.521 ' HG ' ' HE2' ' A' ' 89' ' ' TYR . 6.3 mp -103.28 84.45 2.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.289 -0.414 . . . . 61.0 111.427 -174.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 85' ' ' MET . 42.2 tttp -64.85 153.84 38.98 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.507 -0.923 . . . . 61.0 108.507 170.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.6 p -56.49 -31.34 33.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-O 121.069 0.462 . . . . 61.0 111.321 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.0 m -91.65 0.17 57.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.377 0.608 . . . . 61.0 111.01 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.409 ' HB2' ' HB3' ' A' ' 82' ' ' LYS . 12.4 tpt -87.45 -25.58 23.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.354 -0.385 . . . . 61.0 110.828 -176.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.521 HD12 ' H ' ' A' ' 86' ' ' ILE . 5.3 mp -63.57 -38.79 83.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.94 0.4 . . . . 61.0 110.512 -178.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -61.14 -39.0 88.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.987 0.422 . . . . 61.0 109.933 176.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.614 ' HA ' ' HG2' ' A' ' 91' ' ' GLN . 63.7 mttp -67.59 -30.77 70.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.816 -0.629 . . . . 61.0 110.557 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.58 ' OH ' ' HA ' ' A' ' 78' ' ' GLU . 21.0 m-85 -69.11 -39.89 78.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.965 0.412 . . . . 61.0 110.371 174.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -75.25 -17.71 60.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.512 . . . . 61.0 111.615 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.614 ' HG2' ' HA ' ' A' ' 88' ' ' LYS . 19.8 pt20 -102.46 -9.14 20.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.99 0.424 . . . . 61.0 110.759 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.614 ' HB2' ' O ' ' A' ' 88' ' ' LYS . 5.8 tt -91.39 121.13 32.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.041 -0.527 . . . . 61.0 110.891 -173.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 40.5 t60 -92.13 122.88 35.04 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.353 -0.61 . . . . 61.0 109.353 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.423 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 79.9 m80 -87.71 -24.13 23.95 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.893 0.701 . . . . 61.0 112.893 -171.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.826 -0.606 . . . . 61.0 110.671 178.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 ttp . . . . . 0 N--CA 1.484 1.25 0 CA-C-O 120.696 0.284 . . . . 61.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -80.58 -40.83 25.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.108 -0.496 . . . . 61.0 110.663 -175.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -111.78 42.39 1.74 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.987 -0.551 . . . . 61.0 109.996 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.658 ' HG3' ' H ' ' A' ' 5' ' ' ARG . 37.7 tptt 63.85 -167.73 0.21 Allowed 'General case' 0 C--O 1.235 0.302 0 N-CA-C 108.429 -0.952 . . . . 61.0 108.429 -174.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.658 ' H ' ' HG3' ' A' ' 4' ' ' LYS . 45.0 ttp180 70.02 162.23 0.23 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.524 0.678 . . . . 61.0 112.162 168.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.481 HG12 ' H ' ' A' ' 8' ' ' GLY . 32.9 t -80.56 132.81 30.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.078 -0.712 . . . . 61.0 109.078 171.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -80.38 -16.72 53.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.09 0.471 . . . . 61.0 111.27 -174.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.481 ' H ' HG12 ' A' ' 6' ' ' VAL . . . -112.26 140.88 16.48 Favored Glycine 0 N--CA 1.442 -0.938 0 N-CA-C 111.046 -0.822 . . . . 61.0 111.046 176.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HD2' ' O ' ' A' ' 48' ' ' GLY . 51.0 Cg_exo -54.43 154.11 20.54 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.763 2.309 . . . . 61.0 111.893 178.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 22' ' ' ARG . 12.5 ptm180 -87.05 -17.38 33.04 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.523 -0.547 . . . . 61.0 109.523 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.616 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 3.5 pt20 -154.73 135.84 13.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 61.0 110.729 175.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.6 m -119.9 147.5 23.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.77 -0.65 . . . . 61.0 110.343 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.6 m -90.75 122.38 33.45 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.281 -0.418 . . . . 61.0 110.634 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.7 mm? -64.27 155.96 77.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.631 -0.507 . . . . 61.0 109.631 177.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.617 ' HD2' ' OXT' ' A' ' 95' ' ' HIS . 32.1 Cg_exo -58.68 -22.95 63.5 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.298 1.999 . . . . 61.0 111.918 176.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 1.061 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 8.5 t70 -70.12 -37.74 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.541 -0.754 . . . . 61.0 110.261 175.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.0 1.65 16.68 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.879 -0.888 . . . . 61.0 110.879 -170.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -75.05 165.36 25.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.606 0.362 . . . . 61.0 110.375 178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.7 t -113.08 123.78 69.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.922 0.391 . . . . 61.0 110.944 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.644 ' HB2' HD21 ' A' ' 14' ' ' LEU . 52.5 tp -116.43 100.17 7.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.839 -0.619 . . . . 61.0 109.522 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.616 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 85.2 p -98.82 171.94 7.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.142 -0.481 . . . . 61.0 110.651 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' A' ' 10' ' ' ARG . 52.4 mtt-85 -72.11 -1.93 16.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.895 -0.593 . . . . 61.0 110.367 175.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.05 -6.33 26.58 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.448 -0.796 . . . . 61.0 109.917 172.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' HB2' HD12 ' A' ' 20' ' ' LEU . 16.6 m-20 -93.75 -19.27 21.22 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 115.911 -0.586 . . . . 61.0 109.737 175.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.4 mt -55.17 132.88 68.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.703 -0.68 . . . . 61.0 110.064 173.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.36 147.22 95.29 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.294 1.996 . . . . 61.0 111.463 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.0 153.76 76.79 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.523 2.148 . . . . 61.0 112.267 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.1 mt -66.54 -13.98 61.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.07 0.462 . . . . 61.0 110.343 178.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.75 -12.76 61.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.414 -0.812 . . . . 61.0 110.607 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 60.2 m -84.94 100.12 11.42 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.179 0.514 . . . . 61.0 111.24 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.444 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 14.0 tpt180 -104.23 -24.07 13.17 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.815 -0.63 . . . . 61.0 109.363 170.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 1.7 ptt180 -80.67 71.21 7.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 122.045 0.926 . . . . 61.0 109.433 174.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -63.74 124.8 22.4 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.99 -1.005 . . . . 61.0 112.233 -175.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -106.57 169.83 2.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.24 -0.891 . . . . 61.0 109.208 172.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.47 -48.67 76.61 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.026 0.38 . . . . 61.0 112.026 -175.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.4 t -59.67 -45.05 93.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.454 -0.339 . . . . 61.0 111.877 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -71.11 -35.36 71.75 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.829 -0.348 . . . . 61.0 110.697 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -65.18 -46.25 81.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.017 0.437 . . . . 61.0 110.246 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.61 -46.0 81.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.327 -0.851 . . . . 61.0 111.246 -178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.48 -44.56 84.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.339 -0.391 . . . . 61.0 111.067 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.8 t -64.26 -51.11 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.498 -0.319 . . . . 61.0 111.636 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.42 HG21 ' HA ' ' A' ' 70' ' ' ARG . 13.7 p -66.32 -39.97 85.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 121.062 -0.255 . . . . 61.0 110.997 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -63.14 -33.43 75.45 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 110.064 -0.347 . . . . 61.0 110.064 176.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.421 ' HB1' HD23 ' A' ' 49' ' ' LEU . . . -62.49 -45.44 93.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 61.0 110.86 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 59.5 t -70.6 -41.38 77.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.235 -0.439 . . . . 61.0 110.743 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.56 -38.36 82.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.831 -0.622 . . . . 61.0 111.454 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -82.24 -25.06 34.46 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 121.033 -0.267 . . . . 61.0 111.503 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.439 ' O ' ' HD2' ' A' ' 9' ' ' PRO . . . 109.51 5.13 30.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.341 -0.933 . . . . 61.0 113.091 177.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.531 HD22 ' HG ' ' A' ' 20' ' ' LEU . 44.1 tp -56.97 -57.47 12.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.306 0.574 . . . . 61.0 109.743 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 45' ' ' VAL . 33.7 pt -126.03 162.69 29.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.47 -0.786 . . . . 61.0 109.296 176.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 54' ' ' GLU . 4.7 t -87.94 156.21 19.45 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.405 0.622 . . . . 61.0 110.515 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.506 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.7 tt0 -55.8 -42.74 76.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.21 -0.904 . . . . 61.0 110.412 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -68.24 -26.67 65.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.69 -0.687 . . . . 61.0 110.908 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 10.6 tp10 -67.63 -45.27 75.84 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.601 -0.518 . . . . 61.0 109.601 177.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.46 -46.77 75.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.857 -0.61 . . . . 61.0 110.64 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.523 ' HA ' ' HB2' ' A' ' 61' ' ' LEU . 68.6 mt -61.54 -32.83 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 61.0 110.938 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -72.93 -58.23 3.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.901 -0.59 . . . . 61.0 111.191 -178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 13.2 ptp180 -69.36 -40.97 77.15 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.098 -0.501 . . . . 61.0 111.993 -173.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -88.39 -0.42 57.16 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.841 -0.343 . . . . 61.0 111.3 -175.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.9 t 54.81 64.79 1.69 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.645 0.736 . . . . 61.0 109.657 -177.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.523 ' HB2' ' HA ' ' A' ' 56' ' ' LEU . 91.1 mt -117.38 163.92 15.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.196 -0.911 . . . . 61.0 110.401 -178.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.2 m -114.26 162.61 16.35 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.785 -0.643 . . . . 61.0 109.619 177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -62.84 -36.36 82.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.433 0.16 . . . . 61.0 111.433 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 12.9 pt-20 -60.22 -35.9 76.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.828 0.347 . . . . 61.0 110.34 175.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.436 ' HG2' HD22 ' A' ' 61' ' ' LEU . 11.5 tp10 -71.56 -55.18 8.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.878 -0.601 . . . . 61.0 110.041 -179.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.429 ' HB2' HD21 ' A' ' 56' ' ' LEU . 59.0 t80 -62.71 -34.04 76.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.372 -0.376 . . . . 61.0 110.824 -177.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.8 73.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.953 0.406 . . . . 61.0 110.541 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 94.2 mt -74.26 -37.67 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 61.0 109.93 175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 23.0 m0 -58.81 -53.61 56.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.424 -0.353 . . . . 61.0 111.038 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.42 ' HA ' HG21 ' A' ' 42' ' ' VAL . 12.3 ptm180 -63.02 -32.26 73.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.662 -0.244 . . . . 61.0 111.346 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.558 ' HA ' ' HB3' ' A' ' 75' ' ' ALA . 49.1 m -76.64 -28.6 56.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.735 0.302 . . . . 61.0 111.591 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -92.11 -23.51 19.42 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.929 0.344 . . . . 61.0 111.929 -177.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -104.07 -62.93 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.583 0.23 . . . . 61.0 111.333 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.76 ' HA ' HD13 ' A' ' 92' ' ' LEU . . . -71.04 -44.59 65.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.095 0.474 . . . . 61.0 110.749 -175.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.558 ' HB3' ' HA ' ' A' ' 71' ' ' SER . . . -90.72 27.33 1.8 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.924 -0.58 . . . . 61.0 110.73 -177.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -86.55 18.8 3.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.152 0.501 . . . . 61.0 110.676 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.492 ' HA3' ' CZ ' ' A' ' 89' ' ' TYR . . . -76.96 60.96 3.42 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 110.711 -0.955 . . . . 61.0 110.711 172.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.6 ' HA ' HD11 ' A' ' 81' ' ' LEU . 12.6 pt-20 -70.27 8.0 0.88 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 123.544 0.738 . . . . 61.0 112.933 -169.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 79' ' ' LYS . 70.4 mmtt -96.44 -30.45 13.36 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 121.016 -0.274 . . . . 61.0 111.259 -178.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.89 90.5 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 61.0 111.186 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.6 HD11 ' HA ' ' A' ' 78' ' ' GLU . 5.2 mp -93.47 64.84 3.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.282 0.563 . . . . 61.0 110.162 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.588 ' HB3' ' SD ' ' A' ' 85' ' ' MET . 22.7 tptm -76.97 150.04 35.91 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.861 -0.792 . . . . 61.0 108.861 177.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.577 ' HA ' HD12 ' A' ' 86' ' ' ILE . 7.4 p -44.17 -40.04 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 123.555 0.534 . . . . 61.0 112.303 -176.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.5 m -75.32 -44.02 47.7 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.029 -0.532 . . . . 61.0 111.481 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.588 ' SD ' ' HB3' ' A' ' 82' ' ' LYS . 1.1 mpt? -63.23 -32.47 73.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.553 -0.749 . . . . 61.0 111.966 -173.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.578 HG22 ' HE ' ' A' ' 90' ' ' ARG . 4.6 mt -58.32 -36.76 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.441 -0.345 . . . . 61.0 110.801 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -54.95 -42.0 71.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.096 0.474 . . . . 61.0 110.903 177.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 88' ' ' LYS . 28.1 mmtp -89.17 0.11 57.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.786 -0.643 . . . . 61.0 111.0 -176.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.492 ' CZ ' ' HA3' ' A' ' 77' ' ' GLY . 15.4 m-85 -93.97 -37.7 11.55 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.327 -0.62 . . . . 61.0 109.327 168.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.578 ' HE ' HG22 ' A' ' 86' ' ' ILE . 82.0 mtt180 -57.44 -44.94 85.14 Favored 'General case' 0 CA--C 1.521 -0.157 0 N-CA-C 109.288 -0.634 . . . . 61.0 109.288 173.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -106.72 60.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.053 -0.976 . . . . 61.0 108.852 170.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' ' 74' ' ' ALA . 1.1 pt? -54.57 127.42 27.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.116 -0.947 . . . . 61.0 110.271 -178.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.563 ' HA ' ' HG2' ' A' ' 15' ' ' PRO . 3.1 p80 -133.32 99.11 4.43 Favored 'General case' 0 C--N 1.313 -1.015 0 C-N-CA 119.546 -0.862 . . . . 61.0 111.318 -176.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -160.52 -55.6 0.05 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.681 -1.145 . . . . 61.0 107.941 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 1.061 ' HA ' ' HB2' ' A' ' 16' ' ' ASP . 48.5 t60 . . . . . 0 C--O 1.249 1.036 0 CA-C-N 115.33 -0.85 . . . . 61.0 109.243 171.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.717 0.294 . . . . 99.99 110.547 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -76.82 117.11 18.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.391 0.615 . . . . 99.99 109.727 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.6 tt -163.58 -60.17 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.412 -0.813 . . . . 99.99 108.874 -175.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -91.51 23.18 3.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.379 -0.828 . . . . 99.99 109.725 177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -165.27 110.2 0.89 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.989 -1.005 . . . . 99.99 108.461 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.64 135.62 28.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 CA-C-N 116.162 -0.472 . . . . 99.99 111.678 -175.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -81.72 81.33 7.8 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.48 0.657 . . . . 99.99 109.468 176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.39 -154.88 17.53 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.538 -0.756 . . . . 47.1 111.379 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.741 ' HG2' ' HA ' ' A' ' 49' ' ' LEU . 41.0 Cg_endo -68.31 141.52 51.98 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 121.955 1.77 . . . . 18.2 111.685 178.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.7 mpt_? -86.27 -20.67 28.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.218 0.533 . . . . 99.99 109.798 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.564 ' HA ' ' HA ' ' A' ' 21' ' ' SER . 11.7 pt20 -147.03 150.07 34.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.503 -0.771 . . . . 61.0 110.457 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.89 174.46 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.008 -0.542 . . . . 1.12 109.839 172.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.2 m -117.46 143.34 46.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.177 0.513 . . . . 3.43 111.01 -175.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 20' ' ' LEU . 3.2 mm? -93.95 146.94 32.6 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.08 -0.509 . . . . 4.39 109.691 176.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.79 -9.07 15.08 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.566 2.177 . . . . 99.99 111.007 172.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -79.32 -17.46 54.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.68 -1.145 . . . . 82.61 110.447 177.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.0 3.84 56.81 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.928 -0.654 . . . . 11.6 111.887 -177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 19' ' ' VAL . 25.0 m -98.57 166.62 11.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.67 -0.265 . . . . 7.43 110.354 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.427 ' N ' HG22 ' A' ' 18' ' ' THR . 57.8 t -115.05 133.91 59.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.98 0.419 . . . . 3.07 110.638 -177.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.611 ' HB2' HD21 ' A' ' 14' ' ' LEU . 57.8 tp -119.56 105.05 10.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.102 -0.499 . . . . 1.62 110.229 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.564 ' HA ' ' HA ' ' A' ' 11' ' ' GLN . 67.5 p -100.48 169.42 9.09 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.205 -0.452 . . . . 61.0 109.856 179.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' CZ ' HG22 ' A' ' 50' ' ' ILE . 43.9 mtt-85 -70.94 -22.59 62.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.924 0.393 . . . . 49.81 111.237 -178.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.54 -14.27 43.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.26 -0.427 . . . . 5.99 110.648 175.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -82.95 -22.31 33.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 61.0 110.467 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 mt -49.47 145.52 7.76 Favored Pre-proline 0 N--CA 1.465 0.288 0 CA-C-N 115.664 -0.698 . . . . 1.59 111.438 177.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -57.66 158.83 18.7 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.205 2.603 . . . . 61.0 112.383 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.67 158.84 55.37 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.551 2.167 . . . . 3.49 112.581 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.1 mt -84.09 -4.35 58.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.398 0.618 . . . . 6.6 109.742 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.04 -19.5 47.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.329 -0.851 . . . . 76.96 111.425 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.2 m -72.83 117.85 15.04 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.16 -0.473 . . . . 12.33 111.878 -176.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -110.53 -42.93 3.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.954 -0.758 . . . . 99.99 108.954 171.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -80.19 78.61 6.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.82 -0.807 . . . . 99.99 108.82 173.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.7 m95 -64.45 150.94 45.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.083 -0.962 . . . . 5.29 112.604 -176.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.4 m -123.22 161.52 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.008 -0.996 . . . . 4.2 108.856 172.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.23 75.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.354 0.502 . . . . 2.44 112.354 -172.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.4 m -60.09 -41.57 92.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.796 0.332 . . . . 17.44 111.444 -177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -74.35 -36.52 63.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.767 0.318 . . . . 61.0 110.487 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -61.72 -44.65 96.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.024 -0.534 . . . . 3.95 110.381 176.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.91 -43.64 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.533 -0.758 . . . . 0.79 111.1 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.94 -47.67 82.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.3 -0.409 . . . . 0.95 111.169 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.35 -50.76 77.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.274 -0.421 . . . . 0.51 111.439 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.53 HG21 ' HA ' ' A' ' 70' ' ' ARG . 12.4 p -67.64 -37.43 78.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.318 -0.401 . . . . 0.65 111.316 -175.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.9 -30.75 70.17 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.642 0.258 . . . . 9.15 110.536 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HB2' HD21 ' A' ' 20' ' ' LEU . . . -62.56 -43.36 98.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.154 -0.475 . . . . 0.46 110.107 177.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 50' ' ' ILE . 62.4 t -70.75 -41.93 77.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 0.83 111.034 179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.7 mt -65.48 -33.41 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.328 -0.397 . . . . 61.0 111.477 -177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -86.32 -6.35 58.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 2.09 111.327 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.41 26.16 52.26 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.684 -0.77 . . . . 2.56 112.579 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.741 ' HA ' ' HG2' ' A' ' 9' ' ' PRO . 52.2 tp -76.3 -55.34 5.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.596 0.712 . . . . 61.0 109.181 175.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.476 HG22 ' CZ ' ' A' ' 22' ' ' ARG . 33.6 pt -121.89 164.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 114.798 -1.092 . . . . 0.96 108.518 175.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.501 HG23 ' H ' ' A' ' 54' ' ' GLU . 8.9 t -93.71 152.06 19.22 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 119.991 -0.684 . . . . 61.0 109.858 176.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 35.0 tt0 -51.55 -42.71 62.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.257 0.551 . . . . 23.17 110.871 -179.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.455 ' HA ' HD12 ' A' ' 56' ' ' LEU . 13.0 mmm180 -69.64 -25.74 64.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.4 -0.818 . . . . 99.99 110.436 -175.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.514 ' O ' ' HG2' ' A' ' 58' ' ' ARG . 79.1 tt0 -72.96 -41.39 64.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.692 -0.685 . . . . 37.36 109.643 178.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.06 -44.48 92.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.796 -0.638 . . . . 1.04 110.313 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 52' ' ' GLU . 67.8 mt -59.41 -38.39 80.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.674 -0.694 . . . . 1.54 110.778 177.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -72.83 -57.5 4.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.016 -0.538 . . . . 41.53 111.651 -177.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 10.3 ptp180 -69.57 -36.69 76.53 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.14 0.422 . . . . 42.98 112.14 -172.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -92.87 -2.08 56.18 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.967 -0.293 . . . . 2.26 111.154 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.3 t 55.83 67.14 1.05 Allowed 'General case' 0 C--O 1.235 0.306 0 O-C-N 123.683 0.614 . . . . 18.75 110.069 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.491 HD22 ' HG2' ' A' ' 65' ' ' GLU . 84.0 mt -125.39 148.31 48.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.523 -0.762 . . . . 3.0 110.145 -178.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 37.4 m -96.44 164.02 12.81 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.793 -0.447 . . . . 3.26 109.793 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.66 -36.95 84.51 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.455 0.169 . . . . 40.85 111.089 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 10.8 pt-20 -58.56 -21.69 53.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.492 -0.322 . . . . 35.08 111.063 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.491 ' HG2' HD22 ' A' ' 61' ' ' LEU . 10.6 tp10 -85.91 -60.77 1.92 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 21.57 109.815 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -60.16 -35.2 74.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.759 -0.655 . . . . 19.8 111.653 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.68 -32.34 72.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.568 -0.287 . . . . 61.0 110.582 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 64' ' ' GLU . 80.2 mt -74.94 -40.25 60.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.369 -0.378 . . . . 2.74 110.12 176.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -54.15 -53.14 57.47 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.98 -0.555 . . . . 1.15 110.736 177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.53 ' HA ' HG21 ' A' ' 42' ' ' VAL . 15.5 ptm180 -66.08 -32.2 73.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.337 -0.392 . . . . 69.28 111.222 -178.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.469 ' HA ' HD11 ' A' ' 92' ' ' LEU . 57.8 m -71.99 -28.86 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 16.21 111.474 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -93.82 -40.58 10.11 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.242 0.46 . . . . 8.77 112.242 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 73.3 t -83.55 -43.03 17.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 111.981 0.363 . . . . 6.73 111.981 -175.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB3' HD12 ' A' ' 92' ' ' LEU . . . -73.25 -30.31 63.37 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.987 -0.285 . . . . 15.53 111.33 -176.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.23 -1.32 48.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.092 0.472 . . . . 25.31 110.893 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -81.06 108.6 14.87 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.316 -0.624 . . . . 90.54 109.316 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.25 55.18 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 110.905 -0.878 . . . . 97.98 110.905 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -87.42 2.38 50.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.235 -0.482 . . . . 99.99 111.462 -172.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -79.4 -47.71 15.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.673 -0.24 . . . . 99.99 111.542 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 85' ' ' MET . . . -151.09 134.32 16.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.621 -0.263 . . . . 99.99 110.736 -177.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.2 mp -115.42 74.56 0.89 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.12 -0.491 . . . . 99.99 110.631 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.495 ' O ' HD12 ' A' ' 86' ' ' ILE . 36.6 ttpt -83.92 168.67 15.83 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.126 -0.694 . . . . 99.99 109.126 177.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.602 ' HA ' HD13 ' A' ' 86' ' ' ILE . 8.2 p -47.73 -38.47 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 112.307 0.484 . . . . 99.99 112.307 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.7 m -61.79 -34.67 76.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.234 0.54 . . . . 99.99 111.129 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 80' ' ' ALA . 25.4 mmt -74.42 -28.73 61.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.72 -0.673 . . . . 99.99 111.224 -174.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.602 HD13 ' HA ' ' A' ' 83' ' ' VAL . 2.6 mp -60.79 -31.56 49.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.695 -0.229 . . . . 99.99 110.915 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -52.97 -44.12 66.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.765 0.317 . . . . 99.99 110.154 176.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -59.1 -48.46 81.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.726 -0.67 . . . . 99.99 111.262 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -82.64 -31.6 28.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.889 -0.596 . . . . 99.99 111.447 -170.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 86' ' ' ILE . 8.8 ptm180 -80.12 -22.7 41.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.598 -0.273 . . . . 99.99 110.804 -178.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -89.26 -22.88 22.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.014 -0.736 . . . . 99.99 109.014 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.469 HD11 ' HA ' ' A' ' 71' ' ' SER . 6.7 tt -62.76 -53.75 49.65 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.834 -1.076 . . . . 99.99 109.412 173.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.9 t60 -84.81 112.4 20.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.487 -0.779 . . . . 99.99 110.864 -176.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -116.88 86.66 2.54 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.996 -0.372 . . . . 99.99 109.996 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.524 -0.751 . . . . 99.99 109.532 178.928 . . . . . . . . 0 0 . 1 stop_ save_