data_2mhh_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 2mhh _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.227 -0.082 0 CA-C-O 120.737 0.303 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.8 mtp -65.93 -45.98 79.9 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.82 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.94 -48.7 60.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 m -50.99 -45.06 61.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.201 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -54.62 -41.03 69.51 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -66.48 -41.61 88.69 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.664 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.87 -41.55 99.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.27 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.75 -58.5 8.32 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.675 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.09 -50.61 79.12 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.686 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.17 63.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -85.5 -32.86 21.99 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.303 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -82.54 -38.12 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.97 -56.46 20.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.439 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ALA . 88.4 mt-10 -62.61 -59.92 4.25 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.611 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.86 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -39.74 -55.51 1.91 Allowed 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 119.029 -0.51 . . . . 0.0 110.646 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 4.3 tp -68.09 -61.09 2.02 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 123.577 0.548 . . . . 0.0 111.564 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.56 -55.89 4.78 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 121.25 0.547 . . . . 0.0 109.552 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 37' ' ' HIS . 1.6 m-70 -80.93 29.41 0.33 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.779 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.86 ' HB3' ' O ' ' A' ' 34' ' ' ALA . . . -118.84 -56.07 2.14 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 119.355 -0.355 . . . . 0.0 111.378 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.605 ' C ' ' O ' ' A' ' 38' ' ' ALA . 59.3 m-20 4.47 54.9 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.46 0.648 . . . . 0.0 110.878 -176.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.775 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -57.63 -52.73 64.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.932 -176.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.492 ' O ' ' C ' ' A' ' 42' ' ' ALA . 12.3 t-20 -89.03 19.93 3.9 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.147 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . 28.99 53.08 0.08 Allowed 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.471 0.482 . . . . 0.0 110.145 -178.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -99.25 -24.56 14.8 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.711 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 68.03 7.64 5.96 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 123.456 0.473 . . . . 0.0 111.184 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -116.85 166.14 12.5 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mp -117.28 99.76 7.24 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.07 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -99.39 135.15 41.22 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -38.53 -49.16 1.48 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -49.31 -54.95 14.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.967 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -59.2 -49.84 76.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.138 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -61.47 -60.43 3.72 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -51.51 -52.97 42.36 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.749 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -63.14 -46.6 86.49 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.772 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.63 -54.66 44.32 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.374 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -33.72 76.29 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.4 -49.64 69.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.277 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 70.0 m -61.18 -14.32 24.36 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -82.17 22.03 0.85 Allowed 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.489 -177.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.71 12.0 72.97 Favored Glycine 0 N--CA 1.46 0.284 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -99.74 150.11 22.65 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.166 0.508 . . . . 0.0 109.735 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.07 176.63 9.08 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.313 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -78.29 -40.6 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.389 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.8 -42.32 41.05 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.755 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.07 -38.71 58.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.383 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.9 mt -69.44 -22.75 25.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.136 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -62.31 -47.9 82.22 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.267 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.25 94.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.646 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -64.92 -37.33 79.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.485 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -78.61 -58.36 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.702 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.523 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -38.73 -38.34 0.4 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.877 0.37 . . . . 0.0 111.812 -175.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -7.25 0.14 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' A' ' 70' ' ' ALA . 35.7 m-85 -107.12 -6.13 17.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.061 0.85 . . . . 0.0 111.431 -176.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -76.66 115.3 16.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.0 t -87.45 -51.03 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.723 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -116.76 2.79 12.94 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.54 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.12 15.16 76.54 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -68.78 -14.03 62.77 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.542 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 62.95 35.0 13.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.345 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 p -147.63 120.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.034 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mp -134.73 106.15 6.8 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.832 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.412 ' C ' ' H ' ' A' ' 83' ' ' GLU . 35.1 m-20 -93.34 -166.87 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.31 0.576 . . . . 0.0 110.014 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.52 -14.47 0.5 Allowed 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.117 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 81' ' ' ASP . 72.5 tt0 -64.4 -59.22 4.61 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.372 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -84.27 -18.67 35.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.418 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -56.87 -37.95 72.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.9 mtt -56.18 -47.18 78.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.453 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -56.12 -41.81 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 36.0 ttm -59.43 -62.5 1.83 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.53 71.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -62.04 -49.11 77.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.4 -39.14 88.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.902 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.31 -25.21 63.21 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.442 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -73.65 -45.61 51.63 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 123.58 0.55 . . . . 0.0 110.766 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.15 -52.76 41.59 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -54.87 -38.66 67.79 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.798 0.332 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.66 -44.75 92.86 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.128 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.3 t -58.94 -46.25 88.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.23 0.538 . . . . 0.0 110.896 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.49 -32.21 73.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.064 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mp -78.46 -46.18 20.36 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.102 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -26.2 64.74 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.683 -177.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -46.84 -64.25 0.82 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.271 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -80.89 -41.39 23.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.877 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.953 -178.027 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 85.7 t60 . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.9 tpt -61.89 -40.97 97.24 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.409 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.63 88.61 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.127 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.6 t -62.63 -44.29 96.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.019 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.543 ' NZ ' ' HZ2' ' A' ' 27' ' ' LYS . 63.3 tttm -62.33 -45.6 92.48 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.619 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.545 HH21 ' NZ ' ' A' ' 96' ' ' LYS . 74.1 mtp180 -62.04 -31.49 71.9 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.848 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.98 -16.11 11.34 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.076 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HZ2' ' NZ ' ' A' ' 24' ' ' LYS . 63.2 pttt -52.46 -32.58 40.36 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 121.359 0.6 . . . . 0.0 111.621 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.55 -46.14 97.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.342 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.149 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.47 -41.05 60.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.963 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -85.36 -42.4 14.59 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.516 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.91 -45.49 80.48 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 O-C-N 123.27 0.356 . . . . 0.0 111.296 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -53.42 -58.69 6.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 110.386 -176.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -60.92 -51.26 70.04 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.845 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.808 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.18 -60.38 1.69 Allowed 'General case' 0 C--O 1.195 -1.816 0 CA-C-O 117.592 -1.194 . . . . 0.0 109.692 -174.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.17 -58.05 5.07 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.939 0.774 . . . . 0.0 111.813 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.91 -60.84 2.3 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.365 0.602 . . . . 0.0 109.724 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -77.54 23.59 0.22 Allowed 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.222 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -106.72 -57.17 2.09 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 117.54 -1.219 . . . . 0.0 111.03 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' ALA . 67.2 m-20 6.7 42.25 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.479 0 O-C-N 125.613 1.821 . . . . 0.0 111.752 -178.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.797 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.08 -52.45 65.29 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.783 -174.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -81.39 -16.22 52.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.413 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 45.25 57.7 4.63 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.256 0.347 . . . . 0.0 110.837 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.0 p-10 -110.04 -8.51 14.81 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.524 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 66.7 6.41 4.5 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 124.153 0.908 . . . . 0.0 111.258 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -128.34 138.8 52.54 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.5 mt -119.58 104.51 10.36 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 123.802 0.689 . . . . 0.0 109.446 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -83.65 159.24 21.6 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.423 ' CE1' ' CE2' ' A' ' 69' ' ' PHE . 2.1 t80 -43.89 -44.38 6.98 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.65 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -52.75 -56.75 13.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.559 -178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -55.48 -47.26 76.42 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.388 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -61.54 -58.83 6.56 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 38.6 ttm180 -49.23 -55.26 13.16 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.726 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.77 -42.79 90.39 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 123.988 0.805 . . . . 0.0 112.531 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -59.52 -54.4 47.05 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.776 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.47 -36.92 74.15 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.141 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 58' ' ' ARG . 62.0 tttm -49.75 -47.73 50.62 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -176.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.4 m -53.5 -8.31 0.14 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.291 0.369 . . . . 0.0 111.671 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -96.89 14.76 24.25 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.856 0.723 . . . . 0.0 111.776 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.36 -20.24 42.08 Favored Glycine 0 N--CA 1.475 1.292 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -59.4 133.65 56.29 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.76 162.91 14.67 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -68.29 -26.18 65.52 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.172 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.37 -46.0 43.39 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.979 0.419 . . . . 0.0 110.789 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -72.01 -23.17 61.36 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.335 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.4 tp -54.2 -27.61 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.004 0.431 . . . . 0.0 111.381 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.26 -23.97 66.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.347 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.71 -47.65 21.26 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.463 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.0 t -63.61 -33.87 64.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.457 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CE2' ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -64.32 -65.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.77 -177.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.89 -18.29 4.73 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.184 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -53.59 -56.72 14.71 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 123.959 0.787 . . . . 0.0 109.7 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -103.36 -42.88 5.58 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.23 67.05 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.887 0.742 . . . . 0.0 109.88 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 72' ' ' TYR . 18.8 t -75.23 -12.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 -178.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 77' ' ' ASP . 50.5 m-20 -74.21 -15.04 61.02 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.89 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.31 -3.01 1.31 Allowed Glycine 0 N--CA 1.474 1.181 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 75' ' ' ASP . 36.7 p30 -74.4 -2.26 24.61 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.776 0.288 . . . . 0.0 110.281 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 56.71 15.44 2.18 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.598 1.186 . . . . 0.0 110.605 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.8 t -139.18 139.26 40.07 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.041 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.04 142.77 34.16 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 124.469 1.106 . . . . 0.0 110.712 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -71.74 164.08 26.61 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 121.411 0.624 . . . . 0.0 110.198 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.85 -17.24 5.86 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.02 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.8 -27.13 68.04 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.253 0.549 . . . . 0.0 110.572 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.46 -25.17 64.86 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.554 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.3 -44.79 95.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.973 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 65.2 mtt -60.8 -51.24 70.19 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.628 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -60.76 -44.07 97.2 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.328 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.4 mtt -53.66 -63.28 1.2 Allowed 'General case' 0 N--CA 1.476 0.845 0 O-C-N 123.304 0.378 . . . . 0.0 110.818 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.84 -55.04 12.8 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.993 0.425 . . . . 0.0 111.501 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -62.96 -42.66 99.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.74 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.28 -44.93 94.92 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.77 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.35 -41.87 90.21 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.94 0.4 . . . . 0.0 110.031 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -48.13 59.53 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.89 -33.84 29.02 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -78.93 -33.49 45.38 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.545 ' NZ ' HH21 ' A' ' 25' ' ' ARG . 56.5 tttp -58.73 -30.78 67.73 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-O 120.842 0.353 . . . . 0.0 110.336 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.1 t -60.61 -42.46 96.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.587 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -60.8 -39.32 88.47 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.688 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.44 -38.09 56.0 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.859 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -52.35 -41.07 62.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.962 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -74.07 -47.15 38.51 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.259 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -47.75 -44.78 28.43 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.647 0.592 . . . . 0.0 110.642 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.9 mt . . . . . 0 CA--C 1.499 -0.984 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.09 179.217 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.8 t60 . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 120.594 0.235 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.2 mtt -61.11 -48.26 82.49 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.51 -53.65 53.75 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.365 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.2 p -53.28 -41.94 66.05 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.585 0.231 . . . . 0.0 111.443 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -49.75 -32.44 13.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.954 0.407 . . . . 0.0 110.911 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -71.06 -38.75 72.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.529 0.681 . . . . 0.0 109.441 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.47 -31.72 72.96 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.804 -177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.8 -59.54 5.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.274 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 pt -60.35 -40.14 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.66 -58.18 7.64 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 120.864 0.364 . . . . 0.0 111.395 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -68.35 -39.06 82.0 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.131 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.5 mt -69.22 -43.49 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 123.101 0.251 . . . . 0.0 110.869 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -61.94 -58.52 7.6 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.61 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.71 -57.15 13.9 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 123.71 0.631 . . . . 0.0 110.331 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.728 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -43.58 -58.38 2.67 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.13 -175.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.41 -58.65 4.38 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.965 0.791 . . . . 0.0 112.232 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.3 -57.95 5.92 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.418 0.627 . . . . 0.0 110.068 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -78.56 24.54 0.28 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.862 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.728 ' HB1' ' O ' ' A' ' 34' ' ' ALA . . . -109.16 -55.55 2.4 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.594 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 1.78 51.2 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.784 0 O-C-N 125.778 1.924 . . . . 0.0 111.092 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -66.08 -51.29 59.44 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.332 -174.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -77.87 -16.48 58.24 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.47 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 51.74 55.38 9.41 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.537 0.208 . . . . 0.0 110.905 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.419 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 46.3 t0 -99.6 -11.99 20.49 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.438 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 63.24 5.88 2.16 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.697 0.799 . . . . 0.0 111.192 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 43' ' ' ASP . 74.2 m80 -116.12 173.07 6.77 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.7 mt -128.41 110.12 12.04 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.881 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -110.08 146.76 34.85 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' ARG . 8.8 t80 -41.31 -44.41 2.72 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 123.784 0.677 . . . . 0.0 111.43 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -48.58 -54.48 14.38 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.633 0.583 . . . . 0.0 111.135 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -59.75 -50.94 71.85 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.565 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -66.77 -23.72 66.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' PHE . 70.4 ttp85 -81.72 -61.97 1.77 Allowed 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.43 -36.31 73.91 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -64.53 -55.37 21.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.562 0.539 . . . . 0.0 112.395 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.17 -28.3 57.28 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.998 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 62.9 tttp -56.33 -46.05 80.07 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -177.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.4 m -63.61 -4.13 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -95.5 10.6 35.97 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.899 0.479 . . . . 0.0 110.826 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.39 -2.4 74.25 Favored Glycine 0 N--CA 1.473 1.126 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.429 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 1.8 m80 -81.41 140.69 34.53 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.02 160.38 14.74 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.85 -30.42 70.59 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.136 0.493 . . . . 0.0 110.285 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.05 83.94 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.268 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -56.13 -22.42 28.32 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.3 mt -53.04 -31.12 17.0 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -61.24 -43.2 99.26 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.59 -53.66 26.35 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.86 -25.1 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -63.9 1.11 Allowed 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.651 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.44 -19.45 0.32 Allowed 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.724 0.773 . . . . 0.0 111.235 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -80.91 -37.31 29.83 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.684 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -115.21 -23.72 8.83 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.18 129.03 42.45 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 123.264 0.625 . . . . 0.0 110.912 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.45 ' CG2' ' H ' ' A' ' 75' ' ' ASP . 27.2 m -73.85 -60.44 2.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.367 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.45 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 46.8 p-10 -116.8 18.3 14.87 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.187 0.995 . . . . 0.0 111.225 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 78' ' ' ARG . . . 54.38 36.55 58.09 Favored Glycine 0 N--CA 1.478 1.489 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -70.99 5.03 2.22 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 76' ' ' GLY . 81.6 mtt85 51.93 22.84 1.9 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.6 p -146.38 119.53 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mp -140.1 97.45 3.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.641 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 83' ' ' GLU . 9.0 t70 -89.24 -168.29 2.13 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 177.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.59 -17.11 0.08 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 122.705 0.402 . . . . 0.0 111.868 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 81' ' ' ASP . 0.4 OUTLIER -66.82 -62.94 1.19 Allowed 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.095 -178.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -87.49 -24.59 24.05 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 120.987 0.422 . . . . 0.0 110.971 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -64.78 -40.52 95.39 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.062 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.1 ttt -46.99 -41.23 15.96 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.04 -36.06 80.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.528 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.5 ttt -60.2 -62.46 1.85 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.52 -42.84 55.54 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -63.32 -44.16 95.76 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.584 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -65.19 -41.96 94.08 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.8 0.333 . . . . 0.0 111.12 -178.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.44 -38.6 91.61 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.052 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -64.69 -42.94 94.97 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.618 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.51 -38.22 94.54 Favored Glycine 0 N--CA 1.467 0.73 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -42.72 96.55 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.48 -49.58 76.23 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.173 0.295 . . . . 0.0 110.412 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.3 m -62.36 -44.18 97.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.865 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.79 -38.18 89.62 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.478 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.1 tp -63.72 -43.92 95.12 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.962 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -51.19 -37.56 47.26 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.816 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -74.19 -47.23 36.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.822 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -51.68 -45.94 63.64 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.73 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.4 tp . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.274 179.529 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.569 ' CE1' ' HZ3' ' A' ' 24' ' ' LYS . 13.9 t-80 . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.0 mtt -65.42 -39.17 91.8 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.431 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.77 85.1 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -67.11 -44.05 80.93 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HZ3' ' CE1' ' A' ' 20' ' ' HIS . 55.8 mtmt -72.5 -19.44 61.54 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.839 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -46.68 -35.54 6.15 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 123.725 0.641 . . . . 0.0 110.962 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.32 -47.48 14.45 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.54 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -62.92 -23.27 67.29 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.204 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.8 mm -58.89 -55.8 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.13 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.43 -20.25 40.75 Favored 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 123.672 0.607 . . . . 0.0 109.866 -177.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.73 -38.71 49.09 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -67.79 -23.97 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.647 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.548 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -82.08 -56.45 3.93 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 123.579 0.55 . . . . 0.0 111.971 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.19 -40.25 93.23 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.536 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.765 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.98 -58.17 2.94 Favored 'General case' 0 C--O 1.193 -1.869 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.423 -175.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.47 -58.66 4.78 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.209 0.943 . . . . 0.0 111.607 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.81 -56.49 8.54 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.572 0.701 . . . . 0.0 109.623 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -80.96 25.04 0.47 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.975 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -111.32 -56.55 2.36 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 118.058 -0.973 . . . . 0.0 111.2 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' ALA . 11.2 p30 7.4 49.85 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 O-C-N 125.494 1.746 . . . . 0.0 110.945 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.77 -50.81 70.85 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.239 -175.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -76.44 -16.84 59.59 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.761 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 41.2 55.18 3.32 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.417 0.448 . . . . 0.0 110.947 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -101.2 -9.61 21.13 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.273 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 74.41 4.05 4.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.336 1.054 . . . . 0.0 110.511 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.9 135.87 50.59 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.04 126.75 35.56 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -112.11 139.72 47.39 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -45.91 -44.65 14.77 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.341 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -51.49 -56.03 15.65 Favored 'General case' 0 C--N 1.341 0.214 0 O-C-N 123.454 0.471 . . . . 0.0 111.031 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -55.41 -46.62 76.63 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.495 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -60.46 -60.02 4.48 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 121.249 0.547 . . . . 0.0 110.904 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -50.68 -53.59 29.93 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.947 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.05 -44.18 85.32 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 123.744 0.652 . . . . 0.0 112.158 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -59.6 -51.62 69.03 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.406 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.18 -33.92 75.34 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -53.25 -48.18 68.45 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.676 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.73 -15.82 33.26 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.014 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 17.85 0.6 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.51 14.13 80.53 Favored Glycine 0 N--CA 1.462 0.406 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.428 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -104.35 150.48 24.44 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.41 160.13 14.67 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -59.45 -43.26 93.19 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.55 -49.03 79.17 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.049 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -59.92 -39.67 86.26 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.701 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.08 -23.45 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.638 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -57.73 -35.43 70.67 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.835 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.04 -40.88 62.54 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.141 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.52 -22.69 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.132 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -61.64 -64.25 1.0 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.1 0.476 . . . . 0.0 111.529 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.48 -16.82 2.56 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.144 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -52.51 -57.31 10.33 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.595 0.559 . . . . 0.0 110.441 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 74' ' ' VAL . 72.0 m-85 -99.02 -41.09 7.72 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.0 62.49 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.211 0.944 . . . . 0.0 110.238 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' TYR . 54.4 t -60.09 -48.55 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -66.99 -12.9 61.17 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 78' ' ' ARG . . . 47.26 18.65 0.54 Allowed Glycine 0 C--N 1.35 1.354 0 N-CA-C 112.728 -0.149 . . . . 0.0 112.728 177.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -69.75 14.8 0.09 Allowed 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.543 ' H ' ' C ' ' A' ' 76' ' ' GLY . 86.9 mtm180 54.41 10.06 0.3 Allowed 'General case' 0 C--N 1.347 0.486 0 C-N-CA 122.92 0.488 . . . . 0.0 111.771 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.6 t -147.28 132.72 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.662 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 ' N ' ' CD2' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -141.38 141.45 33.79 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 106.039 -1.838 . . . . 0.0 106.039 178.302 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -82.84 172.68 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.36 0.6 . . . . 0.0 110.493 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.29 -15.15 1.43 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.275 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -67.62 -39.05 84.72 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.295 0.569 . . . . 0.0 111.051 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -67.46 -26.02 66.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.524 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.34 -42.95 92.36 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.3 tpt -59.49 -47.34 85.9 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -63.76 -39.24 93.78 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.857 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 24.9 ttt -54.67 -60.02 3.93 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.96 -45.37 15.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.32 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -59.76 -30.14 68.65 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.973 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -76.58 -50.76 13.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.445 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.09 -41.97 99.5 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -50.35 -30.47 12.26 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.127 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.12 -32.15 83.2 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.46 -41.65 98.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.033 0.444 . . . . 0.0 110.358 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -58.14 -42.77 86.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.285 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.2 t -61.59 -38.8 88.89 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.193 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.41 -44.18 97.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.355 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.62 -40.83 97.9 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.645 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -55.03 -48.16 73.77 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.46 -40.11 77.32 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.075 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -50.58 -49.81 55.32 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.789 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.8 tp . . . . . 0 C--O 1.233 0.184 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.086 178.664 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.9 p80 . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 110.61 -0.144 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -37.51 87.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 O-C-N 123.216 0.322 . . . . 0.0 110.754 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.16 -56.84 17.03 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.692 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' A' ' 24' ' ' LYS . 98.3 p -62.78 -43.76 97.97 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.662 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' N ' ' HG ' ' A' ' 23' ' ' SER . 87.1 tttt -60.67 -42.82 97.85 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.448 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.4 mmp_? -73.56 -44.56 57.12 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.545 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -63.79 -15.58 59.07 Favored 'General case' 0 CA--C 1.51 -0.588 0 O-C-N 123.398 0.436 . . . . 0.0 110.199 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -52.72 -17.34 1.28 Allowed 'General case' 0 C--O 1.241 0.632 0 CA-C-O 121.401 0.62 . . . . 0.0 111.672 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.8 pt -63.28 -25.68 39.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.431 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.188 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.74 -56.46 13.66 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.46 0.648 . . . . 0.0 111.252 -177.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -67.9 -38.91 83.59 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.515 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.0 mt -70.0 -44.41 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 121.047 0.451 . . . . 0.0 111.653 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -56.53 -58.67 7.05 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.41 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -60.59 -54.92 39.6 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.226 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.782 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -41.82 -60.98 1.21 Allowed 'General case' 0 C--O 1.188 -2.142 0 O-C-N 123.975 0.797 . . . . 0.0 109.513 -175.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.417 ' N ' ' OE2' ' A' ' 54' ' ' GLU . 34.6 tp -65.65 -57.59 7.74 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.753 0.787 . . . . 0.0 112.166 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.24 -60.81 2.49 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.668 0.747 . . . . 0.0 111.116 -175.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -80.45 25.26 0.42 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.466 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 34' ' ' ALA . . . -115.36 -55.92 2.41 Favored 'General case' 0 CA--C 1.49 -1.36 0 CA-C-O 117.026 -1.464 . . . . 0.0 111.493 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 38' ' ' ALA . 57.1 m-20 5.83 51.83 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 125.56 1.788 . . . . 0.0 111.126 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.682 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.98 -52.69 62.02 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.054 -175.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -76.41 -17.04 59.56 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 124.024 0.828 . . . . 0.0 110.438 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 49.05 56.75 7.31 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.282 0.364 . . . . 0.0 111.806 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 p30 -103.7 -9.71 18.92 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.2 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 64.07 6.47 2.9 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 124.267 0.98 . . . . 0.0 111.384 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.405 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 80.1 m80 -127.63 137.42 52.53 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 tp -96.12 122.48 39.0 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.422 1.076 . . . . 0.0 111.407 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -111.34 143.56 41.95 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -46.05 -47.58 16.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.62 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -47.05 -57.56 4.92 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.38 0.609 . . . . 0.0 111.207 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -56.23 -44.31 79.47 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.167 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -59.13 -59.93 4.68 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.053 0.454 . . . . 0.0 110.666 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 59.2 ttp180 -51.49 -56.66 12.15 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.603 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.11 -43.47 95.21 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.743 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.417 ' OE2' ' N ' ' A' ' 35' ' ' LEU . 39.4 tt0 -60.88 -54.1 49.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.277 0.561 . . . . 0.0 110.845 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.65 -28.85 61.03 Favored 'General case' 0 CA--C 1.485 -1.528 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.516 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.4 tttm -54.44 -48.26 71.91 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -176.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.7 p -62.04 -6.03 2.63 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.441 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -94.23 15.84 16.35 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.623 0.369 . . . . 0.0 110.811 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.19 -1.92 80.59 Favored Glycine 0 N--CA 1.468 0.777 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.559 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -82.72 144.22 30.37 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.297 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.15 157.04 17.06 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -62.8 -31.78 72.83 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.838 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.09 -49.24 46.62 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.564 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -57.02 -32.06 65.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.481 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.523 ' O ' HG12 ' A' ' 68' ' ' VAL . 57.4 mt -56.56 -25.74 21.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 121.087 0.47 . . . . 0.0 110.355 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -55.14 -36.74 66.11 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.536 -177.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.45 -45.34 39.22 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.739 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 65' ' ' ILE . 2.2 p -61.32 -23.61 30.89 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.536 -177.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.87 -60.29 3.46 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.347 0.594 . . . . 0.0 109.791 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.52 -18.46 0.24 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.806 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -56.15 -57.77 10.79 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.079 -176.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.891 ' O ' ' N ' ' A' ' 74' ' ' VAL . 67.3 m-85 -99.44 -45.31 5.87 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-O 116.265 -1.826 . . . . 0.0 109.628 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' TYR . 17.1 p-10 7.07 36.75 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 125.763 1.915 . . . . 0.0 112.353 -178.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.891 ' N ' ' O ' ' A' ' 72' ' ' TYR . 2.8 p -41.98 -60.56 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -175.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.495 ' H ' ' CG1' ' A' ' 74' ' ' VAL . 48.3 t0 -103.49 -9.69 19.13 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 124.592 1.183 . . . . 0.0 109.583 178.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.6 29.3 0.14 Allowed Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' A' ' 79' ' ' VAL . 30.8 t70 -86.16 21.68 1.96 Allowed 'General case' 0 CA--C 1.508 -0.657 0 CA-C-O 121.057 0.456 . . . . 0.0 109.86 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.53 0.21 0.31 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.657 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.488 ' H ' ' C ' ' A' ' 77' ' ' ASP . 43.2 t -143.95 131.29 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.941 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -137.43 94.47 2.93 Favored 'General case' 0 CA--C 1.49 -1.349 0 O-C-N 125.194 1.559 . . . . 0.0 109.353 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.53 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 22.6 t70 -62.32 -170.5 0.02 OUTLIER 'General case' 0 C--O 1.256 1.444 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.53 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -62.28 -13.36 27.55 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 124.67 1.188 . . . . 0.0 111.435 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -70.4 -52.77 19.99 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -82.89 -22.18 34.04 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -63.26 -46.54 86.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.23 0.538 . . . . 0.0 110.872 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.1 tpp -50.01 -41.21 46.76 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.71 0.767 . . . . 0.0 110.024 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.91 -37.8 85.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.33 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 64.3 mtt -59.95 -60.9 3.09 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.992 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.2 -38.4 18.17 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.283 0.364 . . . . 0.0 111.096 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -73.42 -32.04 64.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.156 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -66.54 -41.15 89.14 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.028 0.442 . . . . 0.0 111.458 -178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.5 mt -52.2 -55.09 23.39 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.262 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.36 -43.69 80.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.813 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.68 -43.05 86.37 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -68.92 -35.04 76.36 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.69 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.4 -30.68 70.7 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-O 121.071 0.462 . . . . 0.0 110.559 -178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.4 t -57.41 -36.57 71.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.765 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -64.36 -36.96 85.84 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.258 0.552 . . . . 0.0 110.499 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.51 -39.25 85.14 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.533 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -50.12 -42.44 50.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.642 0.735 . . . . 0.0 110.076 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -68.06 -48.35 65.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.949 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -49.97 -46.52 52.52 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.262 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.419 0 O-C-N 123.679 0.612 . . . . 0.0 109.753 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.8 p80 . . . . . 0 N--CA 1.472 0.658 0 CA-C-O 120.768 0.318 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -61.5 -39.78 92.2 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.75 -38.65 56.27 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.76 0.314 . . . . 0.0 110.395 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.6 m -63.82 -38.66 91.94 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.396 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -61.25 -42.57 98.85 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.492 0.663 . . . . 0.0 110.22 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.67 ' HE ' ' HZ2' ' A' ' 96' ' ' LYS . 77.5 ttt180 -64.94 -42.39 94.71 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.43 0.633 . . . . 0.0 109.383 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.31 -25.19 64.1 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.603 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -62.42 -55.37 28.45 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.05 -40.69 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.432 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.73 -49.04 74.12 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -68.26 -36.54 79.6 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.792 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.6 mt -71.97 -37.57 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.176 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -62.36 -58.53 7.32 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.76 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -60.57 -58.06 10.09 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.331 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.675 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -43.81 -58.18 2.86 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.341 -175.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.74 -58.57 5.36 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 123.875 0.734 . . . . 0.0 111.796 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.57 -58.33 4.85 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.623 0.725 . . . . 0.0 110.254 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -79.42 23.84 0.38 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.689 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.748 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -105.82 -55.88 2.26 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.937 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 p30 2.89 47.46 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.619 0 O-C-N 125.827 1.954 . . . . 0.0 111.793 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.748 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -64.86 -51.6 61.15 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.85 -175.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.4 p-10 -77.28 -16.93 58.75 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.284 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.21 56.71 6.53 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.459 0.171 . . . . 0.0 111.181 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -104.17 -6.95 20.52 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 122.377 0.271 . . . . 0.0 110.424 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 61.14 6.25 1.26 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.754 0.822 . . . . 0.0 111.605 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.417 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 1.9 p80 -132.83 145.16 50.73 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.8 mt -124.44 113.14 17.76 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.947 0.779 . . . . 0.0 111.886 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -101.48 173.8 6.27 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.95 -51.09 17.79 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -52.83 -54.82 28.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 111.542 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -60.21 -50.8 72.22 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.033 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -58.52 -59.57 5.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.845 0.355 . . . . 0.0 111.422 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 40.9 ttm180 -51.85 -55.8 17.81 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.936 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -63.18 -41.9 99.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.48 -54.09 41.81 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.295 0.372 . . . . 0.0 110.897 -178.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.86 -27.75 60.38 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.1 tttp -55.82 -47.39 77.27 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.176 -0.61 . . . . 0.0 112.435 -176.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.0 t -61.1 -3.0 0.71 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -92.85 9.48 35.14 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.783 0.433 . . . . 0.0 110.354 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.01 7.72 63.95 Favored Glycine 0 N--CA 1.473 1.108 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.41 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 1.7 m80 -88.59 138.02 31.8 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.7 148.9 21.8 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -57.66 -33.32 68.19 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 110.55 -0.167 . . . . 0.0 110.55 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.17 -49.71 68.79 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.797 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.43 -27.74 68.07 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.188 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 68' ' ' VAL . 51.9 mt -63.6 -25.41 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -58.86 -29.47 66.99 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.23 -0.919 . . . . 0.0 110.068 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.86 -44.71 39.39 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.778 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 65' ' ' ILE . 3.2 m -67.33 -23.23 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.397 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -62.27 -65.84 0.63 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.795 0.331 . . . . 0.0 111.152 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.63 -17.22 1.19 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.154 0.582 . . . . 0.0 112.028 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -54.15 -56.72 15.45 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.362 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -115.64 2.63 13.78 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.132 0.573 . . . . 0.0 110.603 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -100.69 71.55 1.49 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.2 t -57.66 -54.09 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.641 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.22 -18.01 18.66 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.548 0.53 . . . . 0.0 109.676 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.554 ' C ' ' H ' ' A' ' 78' ' ' ARG . . . 36.71 66.49 0.48 Allowed Glycine 0 N--CA 1.475 1.25 0 O-C-N 123.959 0.787 . . . . 0.0 112.61 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.6 24.15 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.687 0.279 . . . . 0.0 110.66 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.554 ' H ' ' C ' ' A' ' 76' ' ' GLY . 14.0 tpp180 72.47 0.27 3.55 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.02 0.528 . . . . 0.0 110.294 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.51 139.55 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.4 mt -133.66 92.73 3.02 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -102.73 -167.21 1.36 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.38 -23.07 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.368 0 O-C-N 123.783 0.677 . . . . 0.0 112.502 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.67 -63.19 1.12 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.302 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -88.53 -24.19 22.98 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.177 0.591 . . . . 0.0 112.02 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -65.1 -43.25 92.68 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.59 -177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.2 ttt -55.05 -49.4 71.71 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.252 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -61.57 -40.91 96.42 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.252 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.7 ttp -62.54 -61.83 2.16 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.265 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.75 -44.85 38.99 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.634 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -58.26 -43.78 88.08 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.033 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.95 -43.57 87.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.972 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.44 -45.98 92.01 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.209 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.31 -40.35 93.66 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.64 -22.27 78.54 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -60.18 -40.61 90.58 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.964 0.411 . . . . 0.0 110.73 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.67 ' HZ2' ' HE ' ' A' ' 25' ' ' ARG . 52.9 tttp -59.19 -44.28 92.2 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.715 -178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.3 m -59.4 -42.56 92.03 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.456 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.89 -44.69 94.08 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.109 0.481 . . . . 0.0 110.425 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.54 -36.01 70.84 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.402 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -54.16 -44.51 71.51 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.875 0.369 . . . . 0.0 110.238 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -69.66 -46.88 65.11 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.306 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -52.92 -46.66 68.17 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.205 0.526 . . . . 0.0 110.416 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.7 mt . . . . . 0 N--CA 1.469 0.49 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.709 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.218 -0.578 0 CA-C-O 121.229 0.538 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.4 mmt -56.48 -48.92 76.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.292 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.49 -44.64 72.82 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.493 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.495 ' HG ' ' N ' ' A' ' 24' ' ' LYS . 25.8 p -55.58 -42.29 74.53 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.128 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.495 ' N ' ' HG ' ' A' ' 23' ' ' SER . 68.3 mttm -60.84 -41.65 96.25 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.661 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -63.32 -45.15 92.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.873 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -70.33 -27.17 64.15 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.107 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -59.06 -53.94 52.68 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 123.83 0.706 . . . . 0.0 111.056 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.35 -40.6 88.97 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.094 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.73 -59.87 3.96 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.765 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.49 -27.63 67.72 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.387 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.1 mt -82.29 -37.15 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.641 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -51.89 -56.39 14.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.035 0.445 . . . . 0.0 110.928 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -63.17 -50.03 71.98 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.58 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.779 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -42.95 -60.08 1.75 Allowed 'General case' 0 C--O 1.205 -1.287 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.769 -173.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HG ' ' H ' ' A' ' 36' ' ' ALA . 1.3 pp -68.24 -56.44 8.68 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.768 0.667 . . . . 0.0 111.621 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' H ' ' HG ' ' A' ' 35' ' ' LEU . . . -48.05 -58.83 3.94 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.417 0.627 . . . . 0.0 109.989 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -79.07 25.03 0.3 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.202 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.821 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -110.19 -55.73 2.42 Favored 'General case' 0 CA--C 1.492 -1.251 0 CA-C-O 117.422 -1.275 . . . . 0.0 112.034 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' ALA . 16.8 p-10 0.8 48.49 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.586 0 O-C-N 125.77 1.919 . . . . 0.0 111.397 -177.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.821 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.6 -51.83 66.91 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.715 -174.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -87.22 -14.56 40.73 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.933 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 62.0 54.16 2.84 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.547 0.53 . . . . 0.0 111.051 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -100.65 -24.32 14.46 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 65.33 9.63 5.84 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 123.73 0.644 . . . . 0.0 111.41 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.493 ' HE2' ' N ' ' A' ' 80' ' ' LEU . 15.6 t-80 -121.66 136.91 54.93 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.3 mt -97.21 98.47 10.04 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -99.43 147.75 24.93 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -40.74 -48.77 3.05 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -51.55 -56.21 14.73 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.587 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.63 -52.01 66.96 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.36 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -59.68 -59.94 4.64 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.043 0.449 . . . . 0.0 111.221 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 3.7 tmt_? -53.81 -54.11 42.99 Favored 'General case' 0 C--O 1.207 -1.176 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.633 -177.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.67 -45.69 88.99 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -59.39 -53.41 58.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.895 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.54 -28.23 60.87 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.817 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 22.3 ttpp -57.67 -47.56 81.97 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.319 -178.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.15 -9.44 23.03 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 123.209 0.318 . . . . 0.0 111.156 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.46 23.6 0.62 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.36 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.7 81.26 Favored Glycine 0 N--CA 1.465 0.625 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.4 OUTLIER -99.47 148.92 23.74 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.73 171.67 14.29 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -77.17 -39.62 48.34 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.623 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.55 -44.58 23.89 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.57 77.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.568 -177.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.3 tp -65.49 -24.78 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.815 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.667 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.99 -39.18 77.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.754 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.78 94.17 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.972 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.37 -48.78 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.532 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -70.62 -57.46 4.7 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.002 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -40.41 -36.54 0.56 Allowed 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.394 0.616 . . . . 0.0 111.727 -176.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -56.31 -9.92 0.79 Allowed 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.252 -0.885 . . . . 0.0 113.121 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.417 ' H ' ' C ' ' A' ' 70' ' ' ALA . 78.1 m-85 -109.29 -5.69 15.79 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.456 0.702 . . . . 0.0 111.475 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.44 119.14 21.33 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.5 t -80.53 -58.71 3.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.283 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -115.79 11.64 15.67 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.438 0.461 . . . . 0.0 110.813 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.32 19.44 72.43 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -70.46 -13.22 62.03 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 63.65 28.8 15.11 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.5 t -144.16 118.69 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.493 ' N ' ' HE2' ' A' ' 45' ' ' HIS . 43.8 mt -137.66 108.43 6.65 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -89.15 -167.97 2.04 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.375 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.72 -15.08 2.67 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.409 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -62.23 -59.16 5.44 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.185 0.516 . . . . 0.0 112.149 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -83.6 -20.86 32.95 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.367 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -56.92 -35.96 69.62 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.674 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 70.5 mtp -58.24 -45.26 88.09 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -57.81 -40.02 78.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.729 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 53.8 mtt -59.14 -61.03 2.94 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.484 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.19 73.83 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.992 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -54.16 -48.68 70.63 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.147 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.94 -41.93 77.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.285 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.3 mt -69.11 -35.87 76.89 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.491 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -69.54 -42.49 74.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.964 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.37 -45.92 35.99 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -59.21 -40.31 85.41 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.76 0.314 . . . . 0.0 110.644 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.7 -46.5 75.38 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.437 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 38.7 t -69.08 -23.97 64.09 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.326 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -84.77 -24.65 28.66 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.86 -44.38 69.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.367 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 101' ' ' ASN . 24.6 p30 -47.22 -28.2 1.8 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.662 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 78.0 m-20 -70.82 -47.46 59.3 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 121.704 0.764 . . . . 0.0 109.583 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -52.22 -42.78 63.84 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.496 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.8 mp . . . . . 0 N--CA 1.471 0.607 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.347 -179.777 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.4 t60 . . . . . 0 N--CA 1.466 0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.3 mtp -62.2 -47.2 85.51 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.11 0.481 . . . . 0.0 110.724 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.65 73.22 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.701 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.0 p -54.91 -45.78 74.77 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.067 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -62.06 -43.61 98.46 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.79 0.329 . . . . 0.0 111.02 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -65.8 -39.85 91.31 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.54 -40.13 95.03 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.693 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.82 -49.67 74.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.5 mt -58.54 -48.95 84.03 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.77 -30.99 64.17 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.465 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -85.74 -35.28 20.89 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.493 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.8 mt -82.21 -36.47 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.937 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -58.1 -57.46 12.75 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -62.12 -55.44 28.83 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 124.214 0.946 . . . . 0.0 110.236 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.755 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -43.82 -55.61 4.39 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.587 -176.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.34 -59.99 2.54 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 124.821 1.326 . . . . 0.0 111.141 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -48.43 -57.45 6.07 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 122.156 0.979 . . . . 0.0 110.402 -176.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -76.11 27.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.14 -1.845 . . . . 0.0 110.149 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 34' ' ' ALA . . . -113.57 -55.6 2.49 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.12 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' ALA . 61.6 m-20 8.74 49.21 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.741 0 O-C-N 125.809 1.943 . . . . 0.0 110.151 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.03 -51.96 67.4 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.306 -174.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -79.88 -14.91 58.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.388 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 52.67 55.74 8.62 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.748 0.308 . . . . 0.0 110.713 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -106.84 -15.12 14.81 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 68.59 8.24 6.57 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.618 0.574 . . . . 0.0 110.464 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.35 169.76 9.99 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mp -124.31 102.96 7.95 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.748 1.28 . . . . 0.0 111.24 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -102.91 141.58 35.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ARG . 22.4 t80 -40.57 -47.6 2.73 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 124.549 1.156 . . . . 0.0 112.264 -177.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -50.81 -50.11 57.04 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.238 0.336 . . . . 0.0 111.495 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -59.45 -51.89 67.96 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.641 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -70.98 -18.55 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.092 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' PHE . 56.9 ttp180 -79.77 -62.46 1.68 Allowed 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -69.52 -37.09 77.0 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.895 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -60.14 -55.38 34.57 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.292 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.35 -32.57 68.68 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.565 -175.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -56.14 -48.2 76.71 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -60.47 -8.96 3.07 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.372 0.42 . . . . 0.0 111.43 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -85.67 21.22 1.9 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.694 0.398 . . . . 0.0 110.82 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.53 14.18 78.76 Favored Glycine 0 C--O 1.226 -0.397 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.442 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -104.2 154.83 19.29 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.17 167.93 15.26 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -78.05 -33.4 51.0 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.747 0.655 . . . . 0.0 111.928 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.75 -44.8 26.55 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.595 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -58.33 -42.99 88.01 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.177 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.3 pt -68.68 -23.7 28.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.475 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -61.8 -39.33 91.36 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.121 0.263 . . . . 0.0 110.692 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.35 87.76 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.753 0.658 . . . . 0.0 110.561 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 t -71.17 -36.61 63.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.472 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -75.69 -62.62 1.52 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.147 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -39.83 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.178 0.513 . . . . 0.0 111.926 -176.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -55.04 -11.04 0.59 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.21 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.457 ' H ' ' C ' ' A' ' 70' ' ' ALA . 38.8 m-85 -109.17 -5.55 15.91 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.646 0.378 . . . . 0.0 111.406 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -92.87 57.74 2.87 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.33 -45.22 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -69.47 -13.71 62.49 Favored 'General case' 0 C--O 1.23 0.046 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.23 12.04 68.39 Favored Glycine 0 C--N 1.341 0.826 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -89.65 -15.03 33.58 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 117.087 0.443 . . . . 0.0 110.285 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 71.84 35.52 1.35 Allowed 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.626 0.579 . . . . 0.0 112.182 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 m -146.31 124.33 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.89 109.52 5.97 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.545 -178.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 83' ' ' GLU . 17.8 p-10 -99.41 -168.12 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.87 -17.23 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.177 0.591 . . . . 0.0 112.058 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 81' ' ' ASP . 72.9 tt0 -66.26 -61.45 2.01 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.747 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -86.24 -21.8 27.22 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.225 0.536 . . . . 0.0 111.158 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -60.97 -45.5 94.53 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.839 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -51.2 -46.58 62.22 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.131 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -59.04 -41.33 87.58 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.187 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.1 ttt -65.44 -60.07 3.34 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.445 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.72 -39.71 74.41 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.242 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -60.55 -51.27 70.13 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -70.41 -37.09 74.39 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.76 -44.66 95.63 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.148 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.24 -37.66 88.1 Favored 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.882 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.3 -27.45 59.69 Favored Glycine 0 C--N 1.339 0.7 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.71 -42.63 99.74 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.763 0.316 . . . . 0.0 110.19 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.05 -42.64 98.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.675 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.0 m -61.99 -42.04 98.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.267 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -62.76 -39.38 93.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.27 -42.07 69.24 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.079 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -44.91 80.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -63.93 -59.55 4.37 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.22 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -44.3 -34.0 1.79 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.352 0.596 . . . . 0.0 110.575 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 CA--C 1.536 0.408 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.724 179.708 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.8 t60 . . . . . 0 C--O 1.227 -0.103 0 CA-C-O 120.938 0.399 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 38.4 ttm -61.34 -38.94 88.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.72 -33.69 23.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.474 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.2 p -63.75 -37.21 86.53 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.032 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HZ2' ' CD ' ' A' ' 95' ' ' GLN . 58.8 tttm -57.29 -43.32 83.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.438 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -63.55 -44.83 93.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.3 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -68.65 -29.12 67.54 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.247 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.14 -59.25 5.71 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.333 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 pt -63.2 -38.62 82.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.52 -30.53 65.22 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.582 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -85.06 -34.64 22.22 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.29 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -82.29 -36.94 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.686 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -58.21 -58.72 7.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.473 0.483 . . . . 0.0 111.194 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.476 ' CG ' ' H ' ' A' ' 34' ' ' ALA . 6.9 pt-20 -61.71 -56.12 23.03 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.778 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.72 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -44.38 -58.74 2.76 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.09 -175.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.7 tp -65.32 -59.54 3.94 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 124.611 1.194 . . . . 0.0 111.726 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.92 -54.08 13.85 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.564 0.697 . . . . 0.0 109.861 -176.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -83.36 23.75 0.88 Allowed 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.672 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.789 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -107.3 -55.26 2.36 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.353 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' ALA . 19.1 p-10 1.71 50.04 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.019 0 O-C-N 125.351 1.657 . . . . 0.0 110.962 -177.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.789 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.91 -51.01 69.91 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.571 -174.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -91.87 -16.41 26.73 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.689 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 57.31 55.59 5.73 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 123.351 0.407 . . . . 0.0 111.79 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -99.06 -18.82 17.55 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 70.64 5.93 5.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.525 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -121.42 134.42 55.09 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.18 114.79 22.56 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -104.79 134.66 47.55 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.419 -1.264 . . . . 0.0 108.246 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -44.88 -44.13 9.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.676 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -53.87 -52.73 59.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.932 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -62.43 -51.94 65.51 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.732 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -60.45 -60.02 4.48 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.066 0.46 . . . . 0.0 110.981 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.445 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 7.1 tmm_? -50.87 -50.53 56.88 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.469 -177.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -66.1 -40.51 90.84 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.128 0.893 . . . . 0.0 111.699 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -60.91 -53.49 56.61 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.746 0.654 . . . . 0.0 111.218 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.89 -28.66 60.73 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.804 -176.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.447 ' C ' ' H ' ' A' ' 58' ' ' ARG . 88.2 tttt -55.42 -48.19 74.8 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -176.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.8 p -59.51 -4.15 0.57 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.447 ' H ' ' C ' ' A' ' 56' ' ' LYS . 33.0 mtp85 -100.32 13.2 35.19 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.498 0.499 . . . . 0.0 111.747 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.53 -20.78 25.37 Favored Glycine 0 N--CA 1.476 1.348 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -64.29 142.19 58.5 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.34 168.19 11.23 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -76.99 -33.64 57.57 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.8 0.688 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.82 -46.71 67.92 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -177.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.18 -40.66 96.58 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.8 pt -76.43 -22.38 15.33 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.832 0 O-C-N 123.189 0.306 . . . . 0.0 110.889 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -54.9 -40.73 70.13 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.454 0.471 . . . . 0.0 111.516 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.24 -31.9 66.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.994 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 t -84.74 -37.56 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -74.37 -36.79 63.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.86 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.72 -15.95 58.78 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 123.151 0.58 . . . . 0.0 111.768 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -56.62 -12.52 1.84 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -106.19 -2.08 22.89 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.336 0.254 . . . . 0.0 110.974 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.32 136.46 33.47 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -58.99 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.692 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -116.73 27.44 9.17 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.544 0.738 . . . . 0.0 110.662 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.15 39.75 98.06 Favored Glycine 0 C--N 1.343 0.945 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -74.17 -15.46 61.02 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.451 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 75.11 -0.22 3.36 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 124.502 1.126 . . . . 0.0 111.728 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.31 133.74 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.888 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -141.78 134.99 29.24 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.546 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 83' ' ' GLU . 7.2 p-10 -87.62 -168.06 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.329 0.585 . . . . 0.0 109.89 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.32 -14.9 0.11 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.285 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 81' ' ' ASP . 77.3 tt0 -68.32 -62.36 1.43 Allowed 'General case' 0 C--N 1.343 0.296 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.61 -177.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.51 -21.97 26.66 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.898 0.479 . . . . 0.0 111.393 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -62.3 -38.9 91.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.493 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.5 ttm -53.51 -46.9 70.26 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -59.0 -39.57 82.23 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.258 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 28.2 ttt -64.69 -60.98 2.49 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.747 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.39 20.16 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.534 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -63.96 -47.39 80.63 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.293 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -61.24 -41.72 97.37 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.144 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.15 -38.31 87.81 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.976 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -72.22 -49.14 37.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.306 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.58 -17.73 60.44 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.438 ' CD ' ' HZ2' ' A' ' 24' ' ' LYS . 19.4 tp60 -58.33 -40.87 83.25 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.107 -0.547 . . . . 0.0 110.767 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.02 -56.13 25.75 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.931 0.396 . . . . 0.0 111.465 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 93.9 p -53.72 -41.92 67.54 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.326 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -59.86 -47.09 87.13 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.07 -32.7 61.56 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.467 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -57.67 -48.95 78.09 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.851 -0.339 . . . . 0.0 110.091 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -69.28 -49.33 57.07 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.293 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -48.95 -44.94 41.19 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.209 0.528 . . . . 0.0 111.047 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 56.5 mt . . . . . 0 CA--C 1.511 -0.532 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.749 -179.059 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 120.698 0.285 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.7 mtt -71.51 -46.6 59.25 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.012 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.66 -35.01 12.88 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.986 0.422 . . . . 0.0 110.434 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.8 m -59.31 -38.09 79.4 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.581 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -60.96 -41.86 97.15 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.196 0.522 . . . . 0.0 110.422 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -60.99 -46.97 88.61 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.066 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -70.46 -27.68 64.42 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.429 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.93 -58.82 6.88 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 123.707 0.629 . . . . 0.0 111.211 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.83 -43.05 96.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.086 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.57 -57.79 9.48 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.811 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -31.93 72.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.677 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.7 mt -78.65 -36.9 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.83 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -57.91 -57.87 10.89 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.159 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -60.96 -54.98 38.29 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 123.914 0.759 . . . . 0.0 110.186 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.785 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.84 -57.4 3.29 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.279 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.7 tp -69.73 -59.25 3.07 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 124.221 0.951 . . . . 0.0 111.489 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -49.12 -58.29 5.22 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 122.19 0.995 . . . . 0.0 110.072 -176.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -72.58 24.44 0.06 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.801 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -116.24 -54.95 2.44 Favored 'General case' 0 CA--C 1.477 -1.831 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.4 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ALA . 61.2 m-20 6.82 50.1 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.559 0 O-C-N 125.663 1.852 . . . . 0.0 110.578 -178.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.678 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.61 -52.31 65.7 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.099 -173.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' ALA . 64.0 m-80 -90.3 18.67 5.81 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.92 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . 29.29 53.4 0.1 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.094 0.871 . . . . 0.0 109.833 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -95.68 -24.75 16.4 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.466 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 65.64 8.28 5.05 Favored 'General case' 0 CA--C 1.512 -0.491 0 O-C-N 124.095 0.872 . . . . 0.0 111.614 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.617 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -121.44 174.21 6.89 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.664 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mp -124.84 102.25 7.47 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.545 1.153 . . . . 0.0 112.083 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -104.13 142.84 33.78 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 52' ' ' ARG . 17.2 t80 -38.79 -48.96 1.58 Allowed 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 123.418 0.687 . . . . 0.0 112.543 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -47.67 -54.88 10.71 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.356 0.598 . . . . 0.0 111.447 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.41 -52.37 65.9 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.771 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -69.16 -20.01 64.01 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.236 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' PHE . 5.6 tmm_? -81.78 -62.46 1.63 Allowed 'General case' 0 C--O 1.214 -0.775 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -70.67 -38.98 73.82 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.438 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -60.14 -54.39 46.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.894 -176.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mp -76.18 -26.87 56.61 Favored 'General case' 0 CA--C 1.49 -1.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.74 -48.15 78.42 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 119.868 -0.733 . . . . 0.0 112.937 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.1 p -61.18 -6.34 2.01 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.895 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -89.07 18.38 5.0 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.74 7.95 77.47 Favored Glycine 0 C--O 1.223 -0.543 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -95.37 148.22 22.68 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.4 162.77 17.13 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.53 0.519 . . . . 0.0 109.622 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -71.3 -35.53 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.145 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.45 -46.29 20.12 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.271 0.558 . . . . 0.0 112.211 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -61.8 -39.13 90.66 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 tp -71.81 -26.67 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 CA-C-O 121.745 0.784 . . . . 0.0 111.614 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.62 -40.56 76.53 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.828 -176.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.0 -50.51 73.16 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.091 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.84 -27.81 28.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' LYS . 80.5 t80 -74.32 -62.16 1.61 Allowed 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.503 ' O ' ' OD1' ' A' ' 73' ' ' ASP . . . -40.83 -21.51 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 122.481 1.134 . . . . 0.0 111.098 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' PHE . 80.3 tttt -53.94 -11.95 0.5 Allowed 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.113 -0.992 . . . . 0.0 111.36 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.457 ' H ' ' C ' ' A' ' 70' ' ' ALA . 35.9 m-85 -108.93 -7.59 15.39 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.503 ' OD1' ' O ' ' A' ' 70' ' ' ALA . 42.0 p30 -91.01 58.95 3.91 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.9 t -51.74 -46.91 39.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.803 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -73.45 -13.5 61.08 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.885 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.68 20.41 77.32 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -79.89 -15.33 57.56 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.322 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 ttm-85 80.17 0.49 2.02 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 124.704 1.253 . . . . 0.0 111.89 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.43 140.33 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.78 133.66 25.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 83' ' ' GLU . 56.4 m-20 -96.53 -168.34 1.71 Allowed 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.73 -16.6 0.13 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.751 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 81' ' ' ASP . 76.5 tt0 -64.42 -61.06 2.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.536 -177.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -86.33 -22.43 26.72 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.045 0.538 . . . . 0.0 110.551 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -61.12 -36.48 79.84 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.566 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.0 ttp -58.22 -45.38 87.79 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.91 -39.4 85.29 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.283 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.0 ttp -58.83 -62.3 1.98 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.3 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.19 -48.72 54.01 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -39.46 67.15 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.369 0.604 . . . . 0.0 111.177 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.4 -42.23 79.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.62 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.53 -27.44 65.17 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.201 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -70.24 -42.78 71.78 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.437 0.461 . . . . 0.0 110.185 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.75 -39.84 90.01 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.35 -42.32 98.5 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.91 -49.84 75.82 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.808 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.9 p -68.9 -44.72 72.62 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.047 0.451 . . . . 0.0 110.449 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.83 -38.11 89.47 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.241 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.49 -44.91 89.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.471 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -53.63 -38.07 63.7 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.741 -178.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -68.56 -52.11 35.43 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.399 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -49.07 -40.28 31.08 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.09 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.6 mt . . . . . 0 CA--C 1.497 -1.081 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.3 179.824 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.9 t60 . . . . . 0 N--CA 1.471 0.617 0 CA-C-O 120.912 0.387 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.5 mmm -61.41 -49.45 76.81 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.945 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.45 -45.33 76.88 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.716 0.293 . . . . 0.0 110.451 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.6 t -55.8 -43.98 77.36 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.43 -44.63 95.57 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.768 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -66.14 -41.8 89.96 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.99 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.42 -39.5 94.65 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -57.65 -52.16 66.55 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.492 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.68 -47.91 84.57 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.78 -45.79 74.34 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.82 -36.74 64.98 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.927 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.5 mt -77.3 -38.88 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 122.565 0.346 . . . . 0.0 111.301 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.491 ' NE2' ' HZ1' ' A' ' 96' ' ' LYS . 51.3 tt0 -60.91 -57.34 13.07 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -177.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -62.0 -56.94 13.96 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.979 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.683 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.32 -56.32 3.59 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.638 -175.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.37 -59.42 3.41 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 123.698 0.624 . . . . 0.0 111.335 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.41 -57.47 5.28 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 121.69 0.757 . . . . 0.0 110.16 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -78.73 25.26 0.27 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.418 -1.265 . . . . 0.0 109.71 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -109.55 -55.56 2.41 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.682 179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' ALA . 15.0 p-10 4.46 51.07 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.618 0 O-C-N 125.683 1.865 . . . . 0.0 111.118 -177.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.17 -51.47 67.7 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.937 -174.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -85.64 -14.58 45.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.106 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 55.35 55.46 7.41 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.075 0.464 . . . . 0.0 110.599 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -102.29 -18.92 15.23 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.89 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 63.36 7.86 3.15 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.478 0.486 . . . . 0.0 111.778 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -122.66 138.17 54.68 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -90.04 100.49 13.3 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -95.92 137.09 35.49 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -44.47 -43.46 7.84 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -177.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -52.99 -55.57 22.56 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.45 -49.38 77.52 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -58.23 -59.63 5.02 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.843 0.354 . . . . 0.0 110.561 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -53.64 -54.17 41.57 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.979 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -62.69 -44.59 95.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.752 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -61.39 -54.12 47.82 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.287 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.12 -39.13 75.63 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.612 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -49.64 -47.82 49.66 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -175.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 60.8 m -60.7 -9.22 3.64 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -88.28 18.14 4.65 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.454 0.301 . . . . 0.0 110.66 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.9 10.91 77.89 Favored Glycine 0 N--CA 1.472 1.038 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -97.31 148.47 23.1 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.33 172.67 9.68 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.816 0.341 . . . . 0.0 110.132 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -75.95 -32.1 59.37 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.255 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.04 -43.52 24.06 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -60.69 -41.49 95.25 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 pp -69.4 -28.28 37.64 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.623 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -66.19 -43.67 86.14 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.82 76.15 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.935 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -72.73 -29.89 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.813 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -75.38 -63.35 1.3 Allowed 'General case' 0 C--N 1.346 0.43 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -40.11 -24.67 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -57.06 -10.84 1.26 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.786 1.234 . . . . 0.0 111.288 177.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.418 ' H ' ' C ' ' A' ' 70' ' ' ALA . 75.8 m-85 -110.71 -9.38 14.51 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.785 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -89.07 62.48 6.27 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.31 -45.0 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.415 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -70.33 -13.93 62.36 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.343 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.83 17.09 66.94 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.23 -15.07 32.1 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 119.664 -0.208 . . . . 0.0 110.508 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 67.99 41.03 2.15 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.803 0.69 . . . . 0.0 111.837 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.6 p -146.28 119.33 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -133.34 103.39 5.94 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.725 0.64 . . . . 0.0 110.249 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 21.3 p-10 -86.64 -168.79 2.37 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.379 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.39 -13.9 1.65 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.79 0.836 . . . . 0.0 112.824 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -65.19 -59.64 3.87 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -82.81 -19.86 36.87 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.402 0.681 . . . . 0.0 110.308 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -57.01 -36.04 69.94 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.825 0.345 . . . . 0.0 110.391 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.1 mtt -58.06 -44.91 87.74 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -57.36 -43.26 83.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.96 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 83.7 mtp -58.72 -61.46 2.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.743 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.53 -52.56 46.01 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.7 0.286 . . . . 0.0 111.049 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -54.1 -42.82 69.82 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.926 0.393 . . . . 0.0 111.364 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.19 -45.77 75.93 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.707 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.81 -32.52 73.86 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.999 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -65.89 -43.29 88.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.752 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.64 -44.8 88.87 Favored Glycine 0 N--CA 1.472 1.09 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -57.92 -42.36 84.61 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.564 0.221 . . . . 0.0 110.456 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.491 ' HZ1' ' NE2' ' A' ' 32' ' ' GLN . 39.7 ttmt -60.56 -48.13 83.13 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.34 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.5 m -62.2 -42.52 99.37 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.525 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -62.84 -39.51 94.57 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.573 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.2 mt -69.05 -41.79 77.17 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.051 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -57.31 -44.04 83.77 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.449 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -71.53 -52.65 17.12 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.428 0.455 . . . . 0.0 111.195 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -44.63 -37.5 3.67 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.333 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 70.0 mt . . . . . 0 N--CA 1.468 0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.769 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.0 mmt -62.09 -25.95 68.01 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.091 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.41 -37.33 62.41 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.389 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.0 p -64.47 -40.54 95.88 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.229 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.66 -43.47 84.99 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.312 0.577 . . . . 0.0 110.468 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -64.83 -39.06 92.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.91 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.09 -37.57 87.75 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.13 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.23 -50.55 73.17 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.332 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.0 mt -61.19 -48.29 89.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.67 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -31.23 64.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.354 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.85 -33.52 21.27 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.907 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -81.9 -35.55 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.877 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.17 -57.26 12.17 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.91 -59.07 5.66 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.477 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.777 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.09 -54.68 4.24 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-O 118.611 -0.709 . . . . 0.0 109.925 -175.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tp -67.81 -59.91 2.93 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 124.15 0.906 . . . . 0.0 111.313 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.52 -56.42 7.13 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.585 0.707 . . . . 0.0 110.035 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.447 ' ND1' ' N ' ' A' ' 37' ' ' HIS . 2.2 m80 -78.59 27.48 0.21 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.175 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -114.15 -56.28 2.41 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 118.054 -0.974 . . . . 0.0 111.797 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 38' ' ' ALA . 15.9 p-10 6.92 51.18 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 O-C-N 125.55 1.781 . . . . 0.0 110.485 -177.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.83 -52.5 65.19 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.322 -175.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -81.05 -14.88 57.41 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.566 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 52.92 56.86 6.99 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.202 0.314 . . . . 0.0 110.944 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.1 p-10 -108.24 -15.5 14.47 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 64.84 8.18 4.42 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 46' ' ' LEU . 9.9 t-80 -122.92 136.88 55.02 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' N ' ' ND1' ' A' ' 45' ' ' HIS . 40.6 mt -92.81 102.68 15.07 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 123.793 0.683 . . . . 0.0 111.711 -178.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -102.03 142.03 33.96 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.5 t80 -38.43 -47.36 1.25 Allowed 'General case' 0 C--O 1.208 -1.116 0 O-C-N 124.464 1.102 . . . . 0.0 111.542 -177.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -49.29 -53.99 19.18 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.291 0.37 . . . . 0.0 111.337 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -59.77 -52.15 66.71 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.607 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -68.98 -20.27 64.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.153 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' PHE . 71.8 ttt-85 -81.33 -62.57 1.62 Allowed 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -70.41 -37.88 74.53 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.024 -174.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -59.51 -56.05 26.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.435 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.11 -33.24 69.97 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.058 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.86 -48.23 70.23 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.219 -0.593 . . . . 0.0 112.242 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.3 m -59.7 -10.02 3.29 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.501 0.501 . . . . 0.0 111.304 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -86.75 20.41 2.57 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 122.556 0.342 . . . . 0.0 110.868 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.28 12.86 78.04 Favored Glycine 0 N--CA 1.462 0.431 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -102.59 152.67 20.9 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.98 152.45 22.04 Favored 'General case' 0 C--O 1.224 -0.267 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -65.57 -32.33 73.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.52 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.09 -46.53 20.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.437 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.57 -40.06 78.11 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.378 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.9 mt -62.34 -22.9 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.709 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -63.29 -38.68 92.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.897 -177.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.87 80.41 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.031 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.93 -37.15 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.552 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -78.27 -61.94 1.84 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.693 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -39.77 -28.46 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.503 -176.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -54.76 -10.69 0.49 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.359 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.463 ' H ' ' C ' ' A' ' 70' ' ' ALA . 74.8 m-85 -112.03 -4.75 14.4 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.614 0.366 . . . . 0.0 111.883 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -90.41 58.16 3.91 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.0 t -55.9 -46.44 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.228 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -69.92 -13.87 62.46 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.2 13.45 76.58 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.5 p30 -81.91 -14.49 56.09 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.74 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 74.64 5.52 4.47 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 124.374 1.046 . . . . 0.0 111.74 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.8 m -144.18 134.94 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pp -142.79 133.66 25.51 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 83' ' ' GLU . 3.5 p30 -98.33 -166.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 123.805 0.842 . . . . 0.0 109.776 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.33 -15.62 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.096 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.462 ' H ' ' C ' ' A' ' 81' ' ' ASP . 0.4 OUTLIER -66.48 -62.31 1.53 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.122 -178.415 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -86.51 -22.13 26.57 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.141 0.496 . . . . 0.0 111.377 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -62.29 -41.51 98.57 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.502 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.8 ttt -50.97 -47.05 61.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 111.489 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -61.1 -35.36 76.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.983 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.7 ttt -67.26 -59.51 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.497 0.498 . . . . 0.0 110.542 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.28 -38.89 63.5 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.176 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -45.44 84.2 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.545 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.87 -37.82 88.4 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 121.361 -0.136 . . . . 0.0 110.928 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.96 -34.55 78.01 Favored 'General case' 0 CA--C 1.506 -0.718 0 O-C-N 123.443 0.465 . . . . 0.0 110.672 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -68.19 -43.36 78.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.717 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.84 -29.26 67.51 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.82 -42.95 99.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.861 0.363 . . . . 0.0 110.495 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -59.55 -45.33 92.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.481 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.1 t -63.55 -43.43 97.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.519 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -61.64 -41.03 96.93 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.515 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.2 mt -65.66 -43.93 87.85 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.325 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -44.21 65.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.546 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -67.43 -51.99 45.03 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.553 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -49.9 -42.59 48.34 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.845 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 CA--C 1.492 -1.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.744 179.79 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 121.377 0.608 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -35.33 78.43 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.99 -34.35 42.15 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.657 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.7 t -63.32 -40.01 96.13 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.655 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -62.64 -42.91 99.86 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.34 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -63.76 -44.54 93.17 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.089 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -67.04 -31.78 72.54 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.011 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -58.81 -51.46 69.89 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.489 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.2 mm -63.7 -45.47 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.313 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.32 -29.06 60.8 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.432 ' O ' ' NH1' ' A' ' 58' ' ' ARG . 76.0 m-20 -83.88 -32.57 25.12 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.11 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -78.98 -33.95 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.329 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -61.37 -59.14 5.73 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.092 0.245 . . . . 0.0 111.46 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.456 ' CG ' ' H ' ' A' ' 34' ' ' ALA . 5.7 pt-20 -59.79 -57.24 13.74 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 123.555 0.534 . . . . 0.0 109.911 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.768 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -44.14 -56.78 3.81 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.86 -175.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.99 -59.48 3.01 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 124.471 1.107 . . . . 0.0 111.21 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.54 -59.53 3.43 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 121.424 0.63 . . . . 0.0 110.883 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -78.27 27.21 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.315 -1.312 . . . . 0.0 109.406 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.768 ' HB1' ' O ' ' A' ' 34' ' ' ALA . . . -110.47 -56.74 2.31 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 117.846 -1.073 . . . . 0.0 111.696 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 6.45 48.33 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.748 0 O-C-N 126.031 2.082 . . . . 0.0 110.653 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.7 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.38 -51.4 67.72 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.331 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -83.96 -15.3 48.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.855 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 54.2 56.2 7.28 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.85 0.357 . . . . 0.0 110.771 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -104.12 -16.87 15.12 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.838 0.455 . . . . 0.0 110.166 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 65.29 9.53 5.73 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.718 0.636 . . . . 0.0 112.071 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.561 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -120.29 174.85 6.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.0 mt -122.89 99.67 6.51 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.937 0.773 . . . . 0.0 111.932 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -99.5 137.88 37.37 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -43.88 -47.29 8.29 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -177.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -53.48 -55.1 28.16 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.305 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.56 -51.58 68.82 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.442 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.47 ' HE1' ' CG2' ' A' ' 65' ' ' ILE . 30.6 t-105 -59.83 -60.08 4.41 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.595 0.236 . . . . 0.0 111.049 -178.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 59.3 ttp180 -53.08 -53.66 46.95 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.064 -176.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.79 -45.3 90.32 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 123.677 0.611 . . . . 0.0 112.307 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -60.41 -51.11 70.89 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.91 0.386 . . . . 0.0 110.988 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -24.22 51.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.177 -176.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 39.6 ttpt -60.64 -48.25 82.62 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 123.499 0.499 . . . . 0.0 112.096 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.5 p -62.92 -8.08 6.42 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.192 0.307 . . . . 0.0 111.413 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 30' ' ' ASP . 4.0 tpt180 -85.64 24.48 1.21 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.362 0.413 . . . . 0.0 111.647 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.14 10.23 84.09 Favored Glycine 0 N--CA 1.467 0.715 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -100.13 149.72 23.23 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.17 170.48 13.74 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.473 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.19 -36.57 54.81 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.2 -43.98 27.04 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -56.89 -42.39 79.76 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.47 ' CG2' ' HE1' ' A' ' 51' ' ' TRP . 95.7 mt -59.72 -23.52 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.624 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -64.57 -42.45 95.64 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 123.305 0.378 . . . . 0.0 110.548 -178.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.78 74.94 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.947 0.403 . . . . 0.0 111.099 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.13 -41.42 84.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.237 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -74.22 -61.44 1.86 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.297 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -40.1 -29.76 0.08 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.134 0.574 . . . . 0.0 112.032 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -56.51 -10.3 0.93 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.007 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.441 ' H ' ' C ' ' A' ' 70' ' ' ALA . 72.5 m-85 -112.17 -6.73 14.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.111 0.564 . . . . 0.0 111.787 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -89.11 59.46 4.96 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.3 m -53.46 -43.63 53.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.361 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -73.72 -14.72 61.18 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.4 23.83 70.42 Favored Glycine 0 C--N 1.348 1.197 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.9 p30 -90.23 -14.4 33.47 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 119.472 -0.299 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 72.39 5.67 5.32 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 124.067 0.854 . . . . 0.0 111.264 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.25 127.62 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.22 135.16 30.45 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.746 0.818 . . . . 0.0 108.95 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -103.04 -168.18 1.48 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.809 0.844 . . . . 0.0 109.22 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.78 -17.09 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -67.62 -61.62 1.8 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -86.5 -21.83 26.74 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.466 0.706 . . . . 0.0 111.143 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -58.88 -33.75 70.85 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.007 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 39.1 ttm -59.44 -47.78 84.16 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -58.59 -38.61 78.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.596 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.5 ttt -67.09 -57.07 7.49 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.367 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.88 -34.1 65.2 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.93 -50.96 70.05 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.29 -36.68 84.48 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.15 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.67 -27.38 65.93 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.649 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -78.05 -49.21 14.43 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.831 0.348 . . . . 0.0 110.178 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.08 -17.74 66.03 Favored Glycine 0 N--CA 1.469 0.838 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -59.61 -39.81 85.48 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.96 0.409 . . . . 0.0 110.599 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -57.54 -53.22 60.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.761 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 96.6 p -55.66 -42.91 75.75 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.409 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.31 -49.3 77.57 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.562 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.4 mt -62.86 -42.1 99.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.039 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -53.62 -50.85 64.8 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.707 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -71.02 -39.47 72.33 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.122 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.91 -52.34 63.45 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.789 0.328 . . . . 0.0 111.03 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.474 0.74 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.252 -178.729 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.3 t60 . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 68.0 mtt -65.17 -32.4 74.07 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.289 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.23 -32.02 46.19 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.39 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.2 t -66.03 -43.35 87.86 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.701 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -65.27 -41.91 93.72 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.774 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -64.08 -44.73 91.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.032 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -68.22 -25.83 65.4 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.966 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -61.14 -48.7 80.4 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.854 -179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.21 -45.49 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.933 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.75 -53.95 51.83 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.89 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -57.51 -31.57 66.16 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.3 mt -82.38 -31.67 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.835 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -62.32 -58.65 6.92 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.949 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -63.49 -57.29 10.69 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.46 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.725 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.2 -56.24 3.55 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 119.101 -0.475 . . . . 0.0 110.452 -175.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.6 tp -68.47 -58.99 3.5 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 123.775 0.672 . . . . 0.0 111.021 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -47.92 -58.86 3.85 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.357 0.599 . . . . 0.0 111.015 -176.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -76.68 24.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.601 -1.182 . . . . 0.0 110.048 179.109 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -112.83 -55.5 2.52 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.263 178.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' ALA . 65.8 m-20 15.29 49.86 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 124.903 1.377 . . . . 0.0 109.909 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -56.47 -52.82 63.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.957 -174.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -73.23 -13.93 61.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.27 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 44.85 55.3 6.13 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.052 0.453 . . . . 0.0 110.628 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -119.71 -4.32 10.25 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.004 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 66.7 8.21 5.75 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.622 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -121.08 170.66 9.32 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tp -124.82 101.77 7.24 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 124.076 0.86 . . . . 0.0 111.118 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -98.26 136.83 37.89 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -40.76 -45.96 2.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.725 0.64 . . . . 0.0 112.194 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -53.78 -55.11 29.32 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.714 0.634 . . . . 0.0 110.974 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -58.58 -53.29 60.0 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.875 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.487 ' HE1' ' CG2' ' A' ' 65' ' ' ILE . 26.0 t-105 -58.85 -59.68 5.05 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.869 0.366 . . . . 0.0 110.671 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.499 ' NH1' HE21 ' A' ' 53' ' ' GLN . 43.2 ttt-85 -49.08 -55.32 12.54 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.849 -177.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.499 HE21 ' NH1' ' A' ' 52' ' ' ARG . 46.8 mm-40 -64.41 -42.59 95.97 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.965 0.791 . . . . 0.0 111.59 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -60.18 -55.18 36.98 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.09 -176.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -27.75 64.23 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.778 -175.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -58.34 -50.53 73.31 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.1 p -55.74 -11.55 1.0 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.008 0.432 . . . . 0.0 112.135 -176.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -84.45 23.15 1.15 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.236 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.2 24.3 61.65 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.749 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -107.59 154.69 21.05 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.1 171.19 9.43 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.445 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 29.6 t0 -76.23 -32.16 58.76 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.023 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.03 -44.07 27.56 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.879 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.92 -36.98 78.18 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.162 0.506 . . . . 0.0 110.823 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.487 ' CG2' ' HE1' ' A' ' 51' ' ' TRP . 97.5 mt -71.97 -38.41 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.326 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -55.3 -39.83 70.36 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.693 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.45 -46.3 89.14 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.773 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.8 t -61.84 -50.99 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.703 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -62.45 -54.71 36.11 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 123.272 0.357 . . . . 0.0 110.078 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.491 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -40.94 -43.12 2.02 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.277 0.56 . . . . 0.0 110.352 -178.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -49.69 -12.44 0.07 Allowed 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.491 ' H ' ' C ' ' A' ' 70' ' ' ALA . 98.8 m-85 -115.86 -0.1 12.97 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.627 0.771 . . . . 0.0 111.717 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -84.79 57.7 4.54 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.553 0.216 . . . . 0.0 110.576 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.2 m -46.54 -47.29 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -115.17 -16.0 11.6 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.68 35.89 76.08 Favored Glycine 0 C--N 1.341 0.817 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -69.21 -1.29 7.57 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 72.53 26.4 2.53 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.283 0.633 . . . . 0.0 111.542 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.7 p -147.04 118.97 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.81 140.67 47.82 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.96 151.66 31.49 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.57 85.62 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.357 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -74.1 -32.91 63.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.318 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -56.56 -38.46 71.96 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -59.78 -41.85 92.03 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.686 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.8 ttt -59.99 -50.97 71.66 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.84 -43.39 81.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.948 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 91' ' ' ASP . 35.6 ttm -58.45 -62.44 1.85 Allowed 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.96 -44.68 7.35 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.196 0.522 . . . . 0.0 111.202 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -65.31 -36.47 84.15 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.809 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' MET . 22.1 t70 -61.06 -49.2 78.32 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.077 0.465 . . . . 0.0 110.243 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mp -53.22 -57.92 8.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.513 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.62 -48.91 68.0 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.271 0.557 . . . . 0.0 109.938 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -47.3 -40.08 14.49 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.895 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -82.71 -35.08 27.03 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.617 0.367 . . . . 0.0 110.08 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.93 -40.8 73.66 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.939 0.4 . . . . 0.0 110.163 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.0 t -62.01 -41.7 98.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.666 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.83 -43.19 98.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.408 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mp -67.66 -43.07 81.12 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.757 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -53.2 -47.34 69.0 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.565 0.221 . . . . 0.0 110.595 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.508 ' H ' HD21 ' A' ' 101' ' ' ASN . 1.6 m-80 -69.37 -50.9 41.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.717 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -53.12 -47.46 68.64 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.221 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 C--N 1.347 0.494 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.325 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 120.847 0.356 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.2 mmt -61.81 -61.36 2.56 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.587 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.64 75.65 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.729 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.7 p -55.9 -41.81 75.07 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.059 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -57.39 -45.78 84.13 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.355 0.597 . . . . 0.0 110.677 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -64.98 -38.91 92.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.316 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.4 -40.11 95.43 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.276 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -60.42 -49.52 77.26 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.687 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.9 -49.41 84.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.58 -33.97 64.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -85.52 -33.95 21.66 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.122 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.0 mt -80.67 -39.15 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.09 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.68 -56.38 22.53 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.111 -177.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -62.4 -56.6 16.73 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.755 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -44.59 -53.72 6.84 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.037 -176.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.77 -59.08 3.17 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.189 0.931 . . . . 0.0 111.299 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -48.35 -57.59 5.81 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.586 0.707 . . . . 0.0 110.229 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.406 ' ND1' ' O ' ' A' ' 37' ' ' HIS . 0.7 OUTLIER -76.26 25.47 0.13 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.085 178.103 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB1' ' O ' ' A' ' 34' ' ' ALA . . . -112.95 -55.45 2.52 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.767 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' ALA . 17.2 p-10 6.16 49.5 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 O-C-N 125.601 1.813 . . . . 0.0 110.557 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.68 -52.0 66.98 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.433 -174.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -83.74 -15.09 49.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.536 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 56.9 55.16 6.4 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.014 0.435 . . . . 0.0 110.868 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.406 ' CG ' ' ND1' ' A' ' 45' ' ' HIS . 2.0 p30 -104.23 -20.31 13.83 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.778 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 66.98 8.98 6.53 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.183 0.302 . . . . 0.0 111.03 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.406 ' ND1' ' CG ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -121.73 171.67 8.7 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.4 mt -126.52 104.28 8.05 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.207 0.942 . . . . 0.0 112.377 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -102.82 142.16 34.41 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.17 -48.59 4.84 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -50.75 -56.12 13.5 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.903 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -52.27 62.87 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.013 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -58.41 -60.35 3.93 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.434 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 3.7 tmt_? -53.3 -51.7 61.47 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.609 -178.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.47 -45.31 87.95 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -59.33 -52.44 65.62 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.692 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.01 -24.69 55.28 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.571 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.3 tttm -59.14 -48.22 82.41 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.614 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.39 -8.96 10.23 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.206 -177.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -81.65 23.93 0.62 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.03 10.95 82.11 Favored Glycine 0 N--CA 1.467 0.718 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.454 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -99.06 148.25 24.23 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.71 173.6 11.76 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -77.95 -41.06 37.48 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.096 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.73 -46.24 19.4 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -54.22 -45.26 72.22 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.097 0.475 . . . . 0.0 112.023 -176.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.4 tt -63.96 -22.51 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.468 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.9 -41.84 78.81 Favored 'General case' 0 C--O 1.222 -0.372 0 O-C-N 123.354 0.409 . . . . 0.0 110.809 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.35 -39.67 81.79 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.784 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.07 -45.08 80.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.178 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -72.91 -61.22 1.89 Allowed 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.239 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.433 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -40.18 -29.18 0.07 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.76 0.424 . . . . 0.0 111.651 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -55.87 -10.89 0.85 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.872 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.433 ' H ' ' C ' ' A' ' 70' ' ' ALA . 69.0 m-85 -109.18 -5.07 16.08 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.669 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.55 56.63 1.55 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.6 m -54.44 -43.94 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.427 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -76.24 -14.67 60.13 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.979 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.43 9.32 42.94 Favored Glycine 0 C--N 1.343 0.952 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -75.52 -5.64 46.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 119.129 -0.462 . . . . 0.0 110.464 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 60.73 27.14 16.9 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.651 0.595 . . . . 0.0 111.638 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.23 121.07 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 120.985 0.422 . . . . 0.0 110.197 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -139.98 109.66 6.32 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.126 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 83' ' ' GLU . 44.5 m-20 -99.23 -167.62 1.5 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.71 -16.84 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.129 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 81' ' ' ASP . 85.6 mt-10 -65.85 -60.68 2.63 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.076 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -85.24 -21.93 28.87 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -56.27 -33.42 65.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 41.0 ttp -59.84 -46.5 89.05 Favored 'General case' 0 C--N 1.343 0.297 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -53.93 -43.0 69.43 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.484 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttp -65.12 -58.28 6.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.77 81.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.428 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -62.22 -36.47 82.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.736 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -86.56 -38.33 17.28 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.977 0.417 . . . . 0.0 110.158 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.07 -44.81 96.82 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.715 -176.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.52 -37.81 85.08 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.673 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.46 -45.53 77.61 Favored Glycine 0 C--N 1.343 0.919 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -54.8 -41.17 70.27 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -59.83 -49.64 76.91 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 m -63.92 -42.2 97.46 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -62.9 -38.47 91.07 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.593 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.09 -41.61 81.59 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -56.84 -43.55 81.21 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.739 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -71.22 -49.33 44.59 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.394 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -48.69 -42.26 34.28 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.195 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 CA--C 1.517 -0.317 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.642 179.665 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.905 0.383 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -58.93 -33.68 70.86 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.323 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.46 -40.43 37.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.366 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t -55.06 -41.13 71.09 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.676 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -63.53 -39.15 93.67 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.259 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 16.0 mmp_? -66.0 -40.63 91.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.913 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.66 -45.41 65.14 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.775 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -52.83 -56.9 12.41 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.482 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.9 -51.7 64.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.376 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.71 -30.77 61.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.402 0.439 . . . . 0.0 110.012 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -86.36 -32.51 20.94 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.2 mt -84.57 -38.43 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 O-C-N 123.63 0.581 . . . . 0.0 111.395 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -54.04 -57.5 10.8 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.753 0.658 . . . . 0.0 110.992 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.68 -54.69 35.51 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.762 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.797 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -40.18 -58.68 1.42 Allowed 'General case' 0 C--O 1.196 -1.734 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.943 -176.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.1 tp -67.72 -60.72 2.31 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 123.902 0.751 . . . . 0.0 111.958 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -46.06 -56.18 5.93 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 122.168 0.985 . . . . 0.0 109.31 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -78.09 27.55 0.19 Allowed 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.915 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' A' ' 34' ' ' ALA . . . -117.46 -55.42 2.31 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-O 117.848 -1.072 . . . . 0.0 111.797 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.525 ' C ' ' O ' ' A' ' 38' ' ' ALA . 68.3 m-20 4.91 52.93 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 124.904 1.378 . . . . 0.0 110.916 -176.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.742 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.46 -52.41 65.71 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.158 -175.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -78.2 -14.94 59.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.212 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 50.62 56.33 8.13 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 123.706 0.629 . . . . 0.0 110.986 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -106.5 -11.02 16.04 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.163 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 65.86 6.26 3.88 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.26 0.35 . . . . 0.0 111.178 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -121.43 134.4 55.09 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mp -86.98 107.93 18.61 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.452 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -103.95 135.56 45.24 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 125.171 1.544 . . . . 0.0 107.697 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 43.8 t80 -38.81 -47.35 1.39 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -45.38 -57.94 3.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 123.65 0.594 . . . . 0.0 112.026 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -54.0 -46.12 71.68 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.391 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -70.94 -19.76 62.53 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' PHE . 18.2 ttm180 -81.69 -63.24 1.43 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -70.15 -38.57 75.51 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -176.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -57.86 -55.4 35.41 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 124.078 0.861 . . . . 0.0 112.819 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.93 -32.64 67.53 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.605 -177.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -54.47 -47.28 73.14 Favored 'General case' 0 C--N 1.312 -1.03 0 O-C-N 123.687 0.617 . . . . 0.0 112.089 -176.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 75.5 m -63.32 -10.25 15.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.135 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.98 22.03 1.48 Allowed 'General case' 0 C--O 1.243 0.717 0 O-C-N 123.749 0.656 . . . . 0.0 111.375 -179.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.86 8.25 84.54 Favored Glycine 0 N--CA 1.461 0.327 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -101.01 152.45 20.56 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.16 173.86 9.53 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.792 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.38 -32.97 49.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.259 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.7 -44.92 22.45 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.32 -42.88 78.36 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.1 pt -63.51 -21.7 29.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.696 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.18 -40.91 82.15 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.667 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.46 69.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.586 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.17 -28.78 42.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -81.12 -63.03 1.49 Allowed 'General case' 0 CA--C 1.504 -0.792 0 O-C-N 123.496 0.498 . . . . 0.0 110.23 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.492 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -39.06 -32.59 0.1 Allowed 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -176.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -52.95 -11.03 0.2 Allowed 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' A' ' 70' ' ' ALA . 57.2 m-85 -109.03 -8.33 15.21 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 124.188 0.93 . . . . 0.0 112.095 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -89.72 59.44 4.66 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.0 p -52.9 -46.24 52.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.264 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -80.36 -14.77 58.07 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.99 12.11 70.92 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -81.19 -15.08 56.78 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.304 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 67.64 31.48 6.04 Favored 'General case' 0 C--O 1.243 0.727 0 O-C-N 124.33 1.019 . . . . 0.0 112.042 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -137.01 119.11 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mp -134.62 102.82 5.43 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 123.828 0.705 . . . . 0.0 111.537 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.534 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 26.2 t70 -100.51 -167.46 1.44 Allowed 'General case' 0 CA--C 1.507 -0.698 0 O-C-N 124.074 0.859 . . . . 0.0 108.993 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.534 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -44.91 -18.42 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 O-C-N 123.146 0.279 . . . . 0.0 111.427 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' A' ' 81' ' ' ASP . 0.8 OUTLIER -68.27 -62.49 1.37 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.024 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -87.32 -23.02 24.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.47 0.481 . . . . 0.0 111.119 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.87 -42.44 99.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.97 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.9 mmt -56.28 -45.59 80.07 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.156 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.12 -39.09 85.05 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.623 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.1 ttp -66.25 -59.39 3.78 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.09 -32.35 54.61 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.817 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -64.3 -45.8 86.37 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.376 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -65.85 -35.24 80.12 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.704 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.18 -33.35 74.29 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.676 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -73.13 -44.16 60.59 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 124.044 0.84 . . . . 0.0 110.506 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.77 -50.21 43.65 Favored Glycine 0 N--CA 1.465 0.594 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -54.44 -38.11 65.93 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.644 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -64.16 -42.76 96.61 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.6 m -67.0 -32.15 73.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.107 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -64.78 -18.8 65.4 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.745 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.99 -38.51 91.45 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.011 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -55.42 -52.47 63.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.731 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -69.87 -43.91 70.86 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -61.13 -52.32 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.96 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.879 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 120.689 0.281 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 62.7 mtt -60.88 -34.25 74.34 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.014 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.85 -37.6 14.29 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.952 0.406 . . . . 0.0 110.448 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.475 ' HG ' ' N ' ' A' ' 24' ' ' LYS . 91.3 p -59.82 -41.73 91.94 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.385 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.475 ' N ' ' HG ' ' A' ' 23' ' ' SER . 96.8 mttt -61.72 -41.01 97.06 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.991 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -60.95 -48.66 80.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.936 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -34.92 76.84 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.223 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -53.68 -58.24 7.92 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.353 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.1 -44.73 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.167 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.87 -32.45 53.22 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.861 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -84.62 -38.62 19.65 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.648 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.2 -41.09 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.035 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -59.4 -59.59 5.2 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.894 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.62 -57.6 12.03 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.394 0.434 . . . . 0.0 110.468 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.708 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.4 -60.05 1.88 Allowed 'General case' 0 C--O 1.209 -1.053 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.279 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.3 tp -67.2 -59.59 3.31 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.16 0.913 . . . . 0.0 111.565 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -49.24 -58.27 5.32 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.705 0.764 . . . . 0.0 109.771 -175.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -76.15 23.44 0.14 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.506 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.754 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -106.88 -56.8 2.15 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.835 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 7.68 43.71 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.601 0 O-C-N 125.62 1.825 . . . . 0.0 111.175 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.754 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.78 -52.97 61.13 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.519 -174.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -82.72 -16.94 46.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.915 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 46.98 57.88 5.28 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.622 0.249 . . . . 0.0 111.178 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -106.0 -9.26 17.14 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.657 0.383 . . . . 0.0 110.702 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 64.06 5.34 2.38 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.868 0.867 . . . . 0.0 111.287 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -127.03 137.02 52.99 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -115.68 84.05 2.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.584 0.707 . . . . 0.0 111.495 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.18 156.89 23.91 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -46.4 -43.47 16.35 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 123.738 0.649 . . . . 0.0 112.195 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -54.06 -55.52 26.69 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.847 0.356 . . . . 0.0 111.254 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -57.26 -47.75 80.62 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.26 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -60.8 -56.93 15.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.149 0.5 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -50.78 -53.87 28.26 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.547 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.93 -42.21 94.88 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 123.794 0.684 . . . . 0.0 112.304 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.92 -56.06 25.6 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.221 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mp -72.31 -27.93 62.76 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.468 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.74 -49.53 70.59 Favored 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.856 -0.528 . . . . 0.0 112.285 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.543 ' C ' ' HE ' ' A' ' 58' ' ' ARG . 49.2 t -58.38 -8.59 1.22 Allowed 'General case' 0 CA--C 1.538 0.484 0 O-C-N 123.598 0.561 . . . . 0.0 112.119 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.543 ' HE ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -87.41 15.95 5.95 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 110.189 -0.301 . . . . 0.0 110.189 -179.302 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.12 15.99 73.21 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -101.92 145.48 29.18 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.17 159.63 15.2 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -68.53 -22.61 64.5 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.193 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.03 -47.44 28.99 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.401 0.62 . . . . 0.0 110.66 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -69.51 -24.98 63.83 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.197 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.2 tp -51.63 -25.42 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-O 121.555 0.693 . . . . 0.0 111.696 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -65.2 -29.81 70.65 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.918 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.46 -54.34 17.6 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.66 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.8 m -65.47 -23.95 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.558 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -65.56 0.66 Allowed 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.971 0.415 . . . . 0.0 110.868 -177.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.74 -17.01 1.95 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.49 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -53.47 -57.38 10.87 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.285 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' VAL . 70.7 m-85 -102.83 -42.85 5.72 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.98 66.68 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.083 0.865 . . . . 0.0 110.762 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' TYR . 7.2 p -71.79 -10.55 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.381 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -70.03 -14.34 62.64 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.0 3.44 6.14 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -86.18 -0.63 56.16 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.682 0.393 . . . . 0.0 110.167 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 56.48 19.04 3.85 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.64 0.587 . . . . 0.0 110.455 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.03 150.48 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 122.004 0.907 . . . . 0.0 109.43 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.52 140.89 33.57 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -81.13 -172.99 4.05 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.207 0.527 . . . . 0.0 110.114 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.01 -35.9 74.04 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.926 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -71.55 -57.58 4.28 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.047 -178.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -51.18 -29.34 13.58 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -66.84 -45.71 77.36 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.61 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 39.8 ttm -52.69 -45.98 67.09 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.728 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.34 -36.0 82.71 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.337 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.1 ttt -60.5 -59.66 5.05 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.062 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.98 -39.09 65.72 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.811 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -60.31 -48.56 81.23 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.989 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -59.94 -35.2 74.42 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.842 0.353 . . . . 0.0 110.959 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.7 -41.85 82.92 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.585 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.72 -40.11 93.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.43 -49.81 48.64 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -45.59 -37.57 5.67 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.375 0.607 . . . . 0.0 110.451 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -60.42 -44.62 95.58 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.286 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.9 t -62.59 -40.81 98.07 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.412 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -64.73 -38.63 91.66 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.46 -42.86 91.86 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -50.24 -38.26 39.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -68.84 -47.98 64.64 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.651 178.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -52.37 -46.61 66.24 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 120.903 0.382 . . . . 0.0 110.285 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 77.7 mt . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.721 179.846 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.42 ' ND1' ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 55.1 mtt -67.09 -31.33 71.75 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.177 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -52.52 65.31 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.539 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.3 p -65.4 -43.96 88.99 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.299 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -61.22 -44.15 97.73 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.978 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -69.85 -45.18 68.35 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.231 0.539 . . . . 0.0 109.921 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.47 -16.32 64.15 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.438 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -54.19 -27.91 37.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.324 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.04 -24.49 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.805 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.93 -33.24 23.54 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.376 0.422 . . . . 0.0 110.98 -178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -85.11 -33.4 22.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.8 mt -72.01 -40.85 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.777 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -56.12 -58.57 7.36 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.67 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -60.32 -54.16 49.05 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.964 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.759 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -43.03 -60.37 1.66 Allowed 'General case' 0 C--O 1.203 -1.393 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.077 -174.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.1 tp -66.94 -58.17 5.49 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.947 0.779 . . . . 0.0 111.962 178.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.19 -59.05 3.43 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.355 0.598 . . . . 0.0 110.187 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -79.94 22.97 0.47 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.613 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 34' ' ' ALA . . . -104.11 -53.8 2.67 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 118.944 -0.551 . . . . 0.0 111.254 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -37.0 68.06 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 125.001 1.438 . . . . 0.0 112.314 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.723 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -82.88 -29.92 28.96 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.084 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -92.74 -17.23 24.46 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 123.859 0.724 . . . . 0.0 111.726 -176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 61.97 55.69 2.49 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.404 ' C ' ' H ' ' A' ' 45' ' ' HIS . 70.4 m-20 -91.16 -23.89 20.12 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 61.72 4.42 1.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.437 1.095 . . . . 0.0 112.046 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.404 ' H ' ' C ' ' A' ' 43' ' ' ASP . 8.5 t-80 -129.41 134.58 47.92 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 178.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -113.82 104.33 12.08 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 124.214 0.946 . . . . 0.0 110.762 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -79.77 158.01 26.96 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 176.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -48.98 -44.21 40.75 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -52.61 -55.74 20.25 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.191 0.519 . . . . 0.0 111.209 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -54.41 -43.19 71.27 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.279 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -63.4 -55.42 24.54 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.816 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 53.4 ttp180 -50.32 -52.88 32.98 Favored 'General case' 0 C--O 1.203 -1.392 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.964 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -65.23 -42.83 93.03 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.88 -54.68 43.28 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.913 -178.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.45 -31.94 64.08 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.621 -177.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 40.6 ttpt -53.34 -46.09 69.35 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -177.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.7 t -59.24 -6.64 0.98 Allowed 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 56' ' ' LYS . 7.5 mpt_? -95.02 9.49 39.26 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.862 0.465 . . . . 0.0 111.018 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.35 -18.69 56.44 Favored Glycine 0 N--CA 1.468 0.827 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 2.0 m80 -64.44 136.02 56.67 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.42 159.68 15.14 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -56.79 -21.81 31.46 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.71 -44.8 20.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.463 -0.789 . . . . 0.0 113.066 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -66.21 -37.83 86.5 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.8 pt -59.02 -23.79 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.554 0.216 . . . . 0.0 111.397 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -59.13 -20.93 58.03 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.897 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.66 -39.92 23.65 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.019 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.82 -26.64 40.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.017 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -61.2 -65.38 0.7 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.394 0.616 . . . . 0.0 110.644 -178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.41 -17.98 0.91 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.453 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.47 -57.62 10.62 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.212 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' VAL . 78.9 m-85 -111.49 -41.36 4.12 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.77 62.36 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.374 1.046 . . . . 0.0 110.281 -177.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' TYR . 65.6 t -74.2 -12.88 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 77' ' ' ASP . 65.3 m-20 -70.15 -13.57 62.26 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.37 2.62 4.38 Favored Glycine 0 C--N 1.345 1.062 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 75' ' ' ASP . 26.9 t0 -80.05 -3.18 47.46 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.938 0.399 . . . . 0.0 110.274 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 58.52 19.31 6.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.176 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.2 t -147.19 153.62 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.05 141.11 32.76 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.662 -1.153 . . . . 0.0 107.935 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -85.12 -172.58 4.25 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.485 0.659 . . . . 0.0 110.42 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.55 78.02 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.75 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.35 -54.11 19.55 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.332 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -56.09 -27.99 55.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.892 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -68.87 -47.14 66.64 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.762 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.7 tpt -53.29 -44.14 68.06 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.086 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -69.26 -36.26 76.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.563 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.96 -62.27 1.98 Allowed 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.917 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.9 -46.06 60.5 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.736 0.647 . . . . 0.0 111.532 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -41.55 82.04 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.688 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.21 -31.69 67.58 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.448 0.642 . . . . 0.0 110.947 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.95 -37.33 75.82 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.684 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -63.35 -41.62 98.86 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.992 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.68 -26.74 70.73 Favored Glycine 0 C--N 1.338 0.655 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -68.01 -42.52 80.57 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.059 0.456 . . . . 0.0 110.807 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.46 -40.71 96.23 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.357 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.6 p -59.8 -44.88 93.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.29 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.75 -38.1 89.83 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.072 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.59 -48.5 77.12 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.429 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -56.75 -39.64 74.33 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.637 0.586 . . . . 0.0 110.307 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -67.97 -59.24 3.42 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.727 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -54.45 -41.57 69.6 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.235 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 120.973 0.416 . . . . 0.0 110.024 -179.158 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.6 t60 . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.5 mmt -64.65 -61.01 2.46 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.384 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.83 -44.63 78.12 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.488 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.2 t -58.15 -43.12 87.19 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.698 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.34 -41.94 94.64 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.42 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.56 ' HE ' ' HZ2' ' A' ' 96' ' ' LYS . 79.8 ttt180 -67.15 -40.08 86.62 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.147 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -59.1 -37.82 78.05 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.612 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -59.23 -48.29 82.16 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.0 mt -56.72 -52.19 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.78 76.71 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.928 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -65.84 -30.95 71.65 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.287 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.4 mt -83.62 -33.86 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.071 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -57.24 -58.41 8.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.69 -55.55 29.17 Favored 'General case' 0 CA--C 1.513 -0.447 0 O-C-N 123.766 0.666 . . . . 0.0 110.566 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.694 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -43.97 -59.7 2.17 Favored 'General case' 0 C--O 1.201 -1.481 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.887 -175.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.4 tp -67.09 -59.49 3.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.572 0.545 . . . . 0.0 111.402 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.06 -57.12 7.11 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 121.711 0.767 . . . . 0.0 110.496 -175.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -77.55 25.22 0.19 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.94 -1.482 . . . . 0.0 110.157 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 34' ' ' ALA . . . -115.25 -55.63 2.44 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.363 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER 10.01 52.66 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.534 0 O-C-N 125.471 1.732 . . . . 0.0 109.877 -177.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.599 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.68 -51.81 68.19 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.844 -174.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -77.39 -14.85 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.308 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.9 55.0 9.17 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.829 0.347 . . . . 0.0 110.576 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -110.11 -7.53 14.9 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.785 0.434 . . . . 0.0 110.314 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 62.42 7.57 2.41 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.738 0.649 . . . . 0.0 111.129 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -120.42 134.31 55.29 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.5 tp -87.77 103.87 16.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 123.933 0.77 . . . . 0.0 111.484 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.54 139.35 37.32 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' ARG . 27.5 t80 -42.46 -46.05 4.62 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 123.943 0.777 . . . . 0.0 112.591 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -48.0 -55.63 9.61 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.074 0.464 . . . . 0.0 111.395 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -57.37 -50.15 73.9 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.776 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -67.87 -21.35 65.17 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.073 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' PHE . 61.9 ttt-85 -81.28 -62.43 1.66 Allowed 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -71.32 -37.63 71.74 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.631 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -60.89 -54.0 50.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.393 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mp -75.67 -27.78 58.44 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -57.33 -48.18 79.64 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.807 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.02 -8.43 3.25 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.158 0.286 . . . . 0.0 111.428 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.02 21.91 1.85 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.445 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.04 12.31 79.69 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -99.94 147.74 25.24 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.3 159.41 21.91 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -70.72 -35.3 72.64 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.188 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.42 -43.87 26.24 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.981 0.419 . . . . 0.0 111.255 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.16 -36.6 77.91 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.289 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.7 tp -58.27 -23.73 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.663 -178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -67.52 -39.22 85.09 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.107 -176.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.8 63.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.814 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.54 -33.65 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -78.24 -61.32 2.04 Favored 'General case' 0 C--O 1.225 -0.224 0 O-C-N 123.118 0.261 . . . . 0.0 110.522 -177.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.77 -32.05 0.13 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.181 0.592 . . . . 0.0 111.906 -175.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -57.17 -11.23 1.54 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.805 0.842 . . . . 0.0 112.002 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -110.95 -7.04 14.59 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.039 0.536 . . . . 0.0 111.287 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -93.53 58.66 2.79 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.36 -45.6 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.244 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -72.41 -14.45 61.7 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.772 -177.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.51 4.42 57.21 Favored Glycine 0 C--N 1.342 0.883 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -77.33 -16.8 58.75 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.371 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 69.02 25.23 5.96 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 124.484 1.115 . . . . 0.0 111.597 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.7 t -133.68 121.49 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.3 mt -135.71 101.92 4.92 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.616 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.485 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 48.3 t0 -97.32 -168.96 1.77 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.485 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -46.88 -16.47 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.579 0.752 . . . . 0.0 112.417 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' ' 81' ' ' ASP . 91.3 mt-10 -66.41 -60.11 3.06 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.654 0.596 . . . . 0.0 110.976 -179.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -86.72 -21.53 26.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.71 0.804 . . . . 0.0 111.519 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -58.55 -39.49 80.39 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.675 -177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.408 ' HG3' ' H ' ' A' ' 87' ' ' LYS . 7.1 ptp -57.77 -48.64 79.08 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.717 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.408 ' H ' ' HG3' ' A' ' 86' ' ' MET . 88.1 tttt -58.74 -43.04 90.11 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.663 -178.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -64.57 -59.49 4.23 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.325 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.44 -40.0 17.03 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.857 0.361 . . . . 0.0 111.652 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -73.14 -31.44 64.28 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.271 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.11 -42.67 98.95 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.432 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.14 -57.8 7.78 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.512 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.08 -44.76 79.26 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.57 -48.65 42.16 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -70.56 -34.99 72.85 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.56 ' HZ2' ' HE ' ' A' ' 25' ' ' ARG . 56.2 tttp -56.08 -40.48 73.68 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.74 0.305 . . . . 0.0 110.797 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.1 m -60.79 -43.73 97.73 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.588 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -62.26 -49.41 75.8 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.356 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.69 -42.66 73.8 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.357 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -57.3 -48.15 79.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.63 0.252 . . . . 0.0 110.543 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -67.39 -56.87 7.91 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -50.34 -39.37 46.06 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.408 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.258 -179.505 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 37.2 ttm -61.83 -35.18 77.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.494 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.63 -54.27 45.03 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.772 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -62.46 -41.64 98.9 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.333 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -60.29 -46.1 91.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.28 0.562 . . . . 0.0 110.736 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.3 mmt-85 -72.06 -22.75 61.33 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.596 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.9 -15.76 62.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.375 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -56.47 -31.78 64.35 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.851 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.3 -43.39 71.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.661 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.77 -36.54 64.98 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.882 0.373 . . . . 0.0 110.78 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -85.1 -37.09 20.67 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.729 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.7 mt -79.56 -40.42 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.3 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -54.8 -56.34 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.034 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.42 -51.92 65.62 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.05 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.804 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -41.94 -57.29 2.46 Favored 'General case' 0 C--O 1.201 -1.482 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.098 -176.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.4 tp -68.55 -59.98 2.75 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.075 0.86 . . . . 0.0 111.524 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -47.4 -58.39 4.21 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.825 0.821 . . . . 0.0 110.262 -176.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -75.94 26.21 0.12 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.44 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.804 ' HB1' ' O ' ' A' ' 34' ' ' ALA . . . -115.08 -55.61 2.45 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-O 117.804 -1.093 . . . . 0.0 112.195 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 38' ' ' ALA . 62.5 m-20 7.36 49.84 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.201 0 O-C-N 125.526 1.766 . . . . 0.0 110.57 -177.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.713 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.19 -52.79 64.19 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.774 -174.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -80.64 -14.06 58.49 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.832 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 54.38 55.75 7.72 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.166 0.291 . . . . 0.0 110.51 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -108.47 -17.98 13.85 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 68.85 10.4 7.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.414 0.446 . . . . 0.0 110.825 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 46' ' ' LEU . 55.7 t60 -116.89 162.27 18.02 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 7.3 mp -119.09 97.52 5.72 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.111 0.882 . . . . 0.0 111.381 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -99.39 140.82 33.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -36.72 -46.94 0.63 Allowed 'General case' 0 C--O 1.207 -1.163 0 O-C-N 124.354 1.034 . . . . 0.0 112.144 -179.54 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -47.75 -56.22 7.84 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.578 0.549 . . . . 0.0 111.523 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -58.64 -52.01 67.49 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.747 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -68.07 -21.23 64.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.177 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' PHE . 59.7 ttm-85 -81.74 -62.2 1.71 Allowed 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -69.13 -38.87 79.07 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.312 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.09 -56.14 25.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.665 -177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.32 -36.92 80.02 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.73 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -54.07 -47.32 71.79 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -175.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -61.03 -12.3 11.23 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.194 0.309 . . . . 0.0 111.353 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -84.79 24.03 1.1 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.032 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.31 12.29 76.32 Favored Glycine 0 N--CA 1.461 0.342 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -102.74 152.07 21.66 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.75 172.49 12.17 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.57 -34.58 53.64 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.331 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.92 -42.71 32.23 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.765 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -54.77 -38.88 67.77 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.664 0.269 . . . . 0.0 111.65 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.62 -24.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.12 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.07 -42.34 99.64 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 123.347 0.405 . . . . 0.0 110.56 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.07 -53.85 52.08 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.779 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.57 -48.15 90.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.677 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -67.93 -54.89 15.25 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.678 -178.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -41.12 -45.15 2.69 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.237 0.542 . . . . 0.0 111.274 -178.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -52.57 -10.78 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.77 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.476 ' H ' ' C ' ' A' ' 70' ' ' ALA . 1.8 t80 -101.34 -41.63 6.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.476 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.37 114.1 0.58 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -54.14 9.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 123.531 0.519 . . . . 0.0 110.395 -177.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -115.15 6.7 15.17 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.668 0.387 . . . . 0.0 110.49 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.51 18.75 73.97 Favored Glycine 0 N--CA 1.47 0.912 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -75.49 -11.73 60.09 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.053 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 63.92 24.03 13.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 123.466 0.479 . . . . 0.0 111.964 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -145.24 119.57 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-O 121.001 0.429 . . . . 0.0 109.865 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.15 117.0 10.41 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.337 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.13 -170.33 1.78 Allowed 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -38.59 -49.29 1.52 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 124.599 1.187 . . . . 0.0 110.776 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -44.08 -57.34 3.44 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.804 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -86.05 -33.37 21.02 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.305 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -63.05 -37.2 86.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.974 -177.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.8 ttt -49.97 -44.81 51.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.315 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.06 -30.5 59.76 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.6 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 19.3 ttt -68.69 -54.63 15.05 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.454 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.18 -33.96 42.98 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -64.22 -49.5 71.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.705 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.94 -41.05 83.11 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.13 -40.95 91.57 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.599 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.27 -43.04 74.7 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.081 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.7 -37.67 93.74 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -64.11 -42.47 96.87 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.122 0.486 . . . . 0.0 110.456 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -59.6 -43.45 93.73 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.059 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.9 t -61.92 -45.61 92.93 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.501 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -61.5 -41.82 97.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.794 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.4 tp -57.76 -51.85 67.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.337 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -47.77 -40.61 21.19 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.74 0.65 . . . . 0.0 110.604 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -80.14 -34.31 37.82 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.145 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.02 -52.91 61.68 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -176.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.473 0.687 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.893 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . -65.16 -102.0 0.01 OUTLIER Glycine 0 C--N 1.334 0.442 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 4.0 mm? 51.67 -88.64 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 120.646 0.26 . . . . 0.0 111.029 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 13' ' ' GLY . 9.2 p -165.65 115.0 0.81 Allowed Pre-proline 0 N--CA 1.441 -0.887 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.53 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.82 -37.74 1.09 Allowed 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.552 2.168 . . . . 0.0 112.071 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -165.24 144.47 6.62 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.277 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.87 -105.15 0.22 Allowed Glycine 0 CA--C 1.517 0.181 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 t 51.08 21.72 1.1 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.962 0.41 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.1 -57.1 11.72 Favored 'General case' 0 C--O 1.227 -0.082 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.212 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.8 mtp -65.93 -45.98 79.9 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.82 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.94 -48.7 60.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 m -50.99 -45.06 61.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.201 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -54.62 -41.03 69.51 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -66.48 -41.61 88.69 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.664 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.87 -41.55 99.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.27 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.75 -58.5 8.32 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.675 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.09 -50.61 79.12 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.686 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.17 63.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -85.5 -32.86 21.99 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.303 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -82.54 -38.12 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.97 -56.46 20.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.439 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ALA . 88.4 mt-10 -62.61 -59.92 4.25 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.611 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.86 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -39.74 -55.51 1.91 Allowed 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 119.029 -0.51 . . . . 0.0 110.646 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 4.3 tp -68.09 -61.09 2.02 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 123.577 0.548 . . . . 0.0 111.564 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.56 -55.89 4.78 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 121.25 0.547 . . . . 0.0 109.552 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 37' ' ' HIS . 1.6 m-70 -80.93 29.41 0.33 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.779 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.86 ' HB3' ' O ' ' A' ' 34' ' ' ALA . . . -118.84 -56.07 2.14 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 119.355 -0.355 . . . . 0.0 111.378 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.605 ' C ' ' O ' ' A' ' 38' ' ' ALA . 59.3 m-20 4.47 54.9 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.46 0.648 . . . . 0.0 110.878 -176.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.775 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -57.63 -52.73 64.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.932 -176.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.492 ' O ' ' C ' ' A' ' 42' ' ' ALA . 12.3 t-20 -89.03 19.93 3.9 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.147 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . 28.99 53.08 0.08 Allowed 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.471 0.482 . . . . 0.0 110.145 -178.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -99.25 -24.56 14.8 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.711 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 68.03 7.64 5.96 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 123.456 0.473 . . . . 0.0 111.184 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -116.85 166.14 12.5 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mp -117.28 99.76 7.24 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.07 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -99.39 135.15 41.22 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -38.53 -49.16 1.48 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -49.31 -54.95 14.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.967 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -59.2 -49.84 76.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.138 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -61.47 -60.43 3.72 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -51.51 -52.97 42.36 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.749 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -63.14 -46.6 86.49 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.772 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.63 -54.66 44.32 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.374 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -33.72 76.29 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.4 -49.64 69.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.277 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 70.0 m -61.18 -14.32 24.36 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -82.17 22.03 0.85 Allowed 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.489 -177.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.71 12.0 72.97 Favored Glycine 0 N--CA 1.46 0.284 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -99.74 150.11 22.65 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.166 0.508 . . . . 0.0 109.735 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.07 176.63 9.08 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.313 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -78.29 -40.6 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.389 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.8 -42.32 41.05 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.755 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.07 -38.71 58.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.383 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.9 mt -69.44 -22.75 25.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.136 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -62.31 -47.9 82.22 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.267 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.25 94.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.646 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -64.92 -37.33 79.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.485 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -78.61 -58.36 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.702 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.523 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -38.73 -38.34 0.4 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.877 0.37 . . . . 0.0 111.812 -175.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -7.25 0.14 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' A' ' 70' ' ' ALA . 35.7 m-85 -107.12 -6.13 17.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.061 0.85 . . . . 0.0 111.431 -176.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -76.66 115.3 16.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.0 t -87.45 -51.03 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.723 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -116.76 2.79 12.94 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.54 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.12 15.16 76.54 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -68.78 -14.03 62.77 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.542 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 62.95 35.0 13.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.345 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 p -147.63 120.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.034 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mp -134.73 106.15 6.8 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.832 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.412 ' C ' ' H ' ' A' ' 83' ' ' GLU . 35.1 m-20 -93.34 -166.87 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.31 0.576 . . . . 0.0 110.014 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.52 -14.47 0.5 Allowed 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.117 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 81' ' ' ASP . 72.5 tt0 -64.4 -59.22 4.61 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.372 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -84.27 -18.67 35.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.418 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -56.87 -37.95 72.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.9 mtt -56.18 -47.18 78.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.453 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -56.12 -41.81 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 36.0 ttm -59.43 -62.5 1.83 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.53 71.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -62.04 -49.11 77.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.4 -39.14 88.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.902 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.31 -25.21 63.21 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.442 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -73.65 -45.61 51.63 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 123.58 0.55 . . . . 0.0 110.766 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.15 -52.76 41.59 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -54.87 -38.66 67.79 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.798 0.332 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.66 -44.75 92.86 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.128 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.3 t -58.94 -46.25 88.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.23 0.538 . . . . 0.0 110.896 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.49 -32.21 73.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.064 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mp -78.46 -46.18 20.36 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.102 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.494 ' O ' ' O ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -59.27 -26.2 64.74 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.683 -177.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -46.84 -64.25 0.82 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.271 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -80.89 -41.39 23.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.877 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.52 -62.08 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.953 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 100' ' ' ASN . . . -162.27 140.54 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.417 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.28 173.39 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.733 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -170.18 -55.26 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.632 179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.216 -0.686 0 CA-C-O 117.785 -1.102 . . . . 0.0 109.98 -179.38 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.79 78.2 1.91 Allowed Glycine 0 N--CA 1.474 1.227 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 mt -70.45 122.71 20.16 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.6 m -70.17 147.0 95.33 Favored Pre-proline 0 N--CA 1.436 -1.166 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.512 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.33 137.05 56.21 Favored 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 121.969 1.779 . . . . 0.0 111.842 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -84.21 170.48 13.71 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.62 10.07 0.03 OUTLIER Glycine 0 N--CA 1.464 0.541 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -64.56 -13.25 51.95 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.797 0.332 . . . . 0.0 110.639 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -62.45 -39.38 93.19 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.08 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.9 tpt -61.89 -40.97 97.24 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.409 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.63 88.61 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.127 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.6 t -62.63 -44.29 96.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.019 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.543 ' NZ ' ' HZ2' ' A' ' 27' ' ' LYS . 63.3 tttm -62.33 -45.6 92.48 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.619 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.545 HH21 ' NZ ' ' A' ' 96' ' ' LYS . 74.1 mtp180 -62.04 -31.49 71.9 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.848 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.98 -16.11 11.34 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.076 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HZ2' ' NZ ' ' A' ' 24' ' ' LYS . 63.2 pttt -52.46 -32.58 40.36 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 121.359 0.6 . . . . 0.0 111.621 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.55 -46.14 97.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.342 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.149 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.47 -41.05 60.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.963 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -85.36 -42.4 14.59 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.516 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.91 -45.49 80.48 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 O-C-N 123.27 0.356 . . . . 0.0 111.296 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -53.42 -58.69 6.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 110.386 -176.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -60.92 -51.26 70.04 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.845 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.808 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.18 -60.38 1.69 Allowed 'General case' 0 C--O 1.195 -1.816 0 CA-C-O 117.592 -1.194 . . . . 0.0 109.692 -174.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.17 -58.05 5.07 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.939 0.774 . . . . 0.0 111.813 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.91 -60.84 2.3 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.365 0.602 . . . . 0.0 109.724 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -77.54 23.59 0.22 Allowed 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.222 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -106.72 -57.17 2.09 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 117.54 -1.219 . . . . 0.0 111.03 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' ALA . 67.2 m-20 6.7 42.25 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.479 0 O-C-N 125.613 1.821 . . . . 0.0 111.752 -178.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.797 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.08 -52.45 65.29 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.783 -174.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -81.39 -16.22 52.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.413 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 45.25 57.7 4.63 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.256 0.347 . . . . 0.0 110.837 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.0 p-10 -110.04 -8.51 14.81 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.524 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 66.7 6.41 4.5 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 124.153 0.908 . . . . 0.0 111.258 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -128.34 138.8 52.54 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.5 mt -119.58 104.51 10.36 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 123.802 0.689 . . . . 0.0 109.446 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -83.65 159.24 21.6 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.423 ' CE1' ' CE2' ' A' ' 69' ' ' PHE . 2.1 t80 -43.89 -44.38 6.98 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.65 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -52.75 -56.75 13.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.559 -178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -55.48 -47.26 76.42 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.388 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -61.54 -58.83 6.56 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 38.6 ttm180 -49.23 -55.26 13.16 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.726 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.77 -42.79 90.39 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 123.988 0.805 . . . . 0.0 112.531 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -59.52 -54.4 47.05 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.776 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.47 -36.92 74.15 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.141 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 58' ' ' ARG . 62.0 tttm -49.75 -47.73 50.62 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -176.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.4 m -53.5 -8.31 0.14 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.291 0.369 . . . . 0.0 111.671 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.483 ' H ' ' C ' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -96.89 14.76 24.25 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.856 0.723 . . . . 0.0 111.776 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.36 -20.24 42.08 Favored Glycine 0 N--CA 1.475 1.292 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -59.4 133.65 56.29 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.76 162.91 14.67 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -68.29 -26.18 65.52 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.172 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.37 -46.0 43.39 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.979 0.419 . . . . 0.0 110.789 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -72.01 -23.17 61.36 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.335 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.4 tp -54.2 -27.61 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.004 0.431 . . . . 0.0 111.381 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.26 -23.97 66.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.347 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.71 -47.65 21.26 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.463 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.0 t -63.61 -33.87 64.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.457 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CE2' ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -64.32 -65.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.77 -177.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.89 -18.29 4.73 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.184 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -53.59 -56.72 14.71 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 123.959 0.787 . . . . 0.0 109.7 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -103.36 -42.88 5.58 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.23 67.05 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.887 0.742 . . . . 0.0 109.88 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' A' ' 72' ' ' TYR . 18.8 t -75.23 -12.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 -178.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 77' ' ' ASP . 50.5 m-20 -74.21 -15.04 61.02 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.89 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.31 -3.01 1.31 Allowed Glycine 0 N--CA 1.474 1.181 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 75' ' ' ASP . 36.7 p30 -74.4 -2.26 24.61 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.776 0.288 . . . . 0.0 110.281 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 56.71 15.44 2.18 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.598 1.186 . . . . 0.0 110.605 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.8 t -139.18 139.26 40.07 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.041 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.04 142.77 34.16 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 124.469 1.106 . . . . 0.0 110.712 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -71.74 164.08 26.61 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 121.411 0.624 . . . . 0.0 110.198 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.85 -17.24 5.86 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.02 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.8 -27.13 68.04 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.253 0.549 . . . . 0.0 110.572 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.46 -25.17 64.86 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.554 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.3 -44.79 95.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.973 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 65.2 mtt -60.8 -51.24 70.19 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.628 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -60.76 -44.07 97.2 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.328 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.4 mtt -53.66 -63.28 1.2 Allowed 'General case' 0 N--CA 1.476 0.845 0 O-C-N 123.304 0.378 . . . . 0.0 110.818 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.84 -55.04 12.8 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.993 0.425 . . . . 0.0 111.501 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -62.96 -42.66 99.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.74 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.28 -44.93 94.92 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.77 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.35 -41.87 90.21 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.94 0.4 . . . . 0.0 110.031 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -48.13 59.53 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.89 -33.84 29.02 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -78.93 -33.49 45.38 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.545 ' NZ ' HH21 ' A' ' 25' ' ' ARG . 56.5 tttp -58.73 -30.78 67.73 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-O 120.842 0.353 . . . . 0.0 110.336 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.1 t -60.61 -42.46 96.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.587 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -60.8 -39.32 88.47 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.688 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.44 -38.09 56.0 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.859 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -52.35 -41.07 62.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.962 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -74.07 -47.15 38.51 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.259 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -47.75 -44.78 28.43 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.647 0.592 . . . . 0.0 110.642 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.9 mt -98.02 -9.16 26.49 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.09 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 106' ' ' LEU . . . 51.62 -172.49 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.482 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' ALA . 97.9 mt-10 22.25 -82.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 124.771 1.294 . . . . 0.0 111.313 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 104' ' ' ALA . 2.4 tt 84.85 85.84 0.02 OUTLIER 'General case' 0 C--N 1.352 0.678 0 O-C-N 124.788 1.305 . . . . 0.0 109.445 177.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 CA--C 1.543 0.69 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.162 179.591 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.441 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.58 86.83 0.04 OUTLIER Glycine 0 N--CA 1.47 0.934 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.67 144.78 55.33 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 p -164.62 62.8 0.99 Allowed Pre-proline 0 CA--C 1.544 0.744 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -73.25 128.21 12.7 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.18 1.253 . . . . 0.0 109.843 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -164.91 100.23 0.77 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.64 90.46 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.41 ' C ' ' H ' ' A' ' 21' ' ' MET . 82.6 p -66.18 -173.0 0.17 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.8 t60 70.86 -43.59 0.56 Allowed 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.808 0.693 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.41 ' H ' ' C ' ' A' ' 19' ' ' SER . 67.2 mtt -61.11 -48.26 82.49 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.51 -53.65 53.75 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.365 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.2 p -53.28 -41.94 66.05 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.585 0.231 . . . . 0.0 111.443 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -49.75 -32.44 13.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.954 0.407 . . . . 0.0 110.911 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -71.06 -38.75 72.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.529 0.681 . . . . 0.0 109.441 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.47 -31.72 72.96 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.804 -177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.8 -59.54 5.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.274 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 pt -60.35 -40.14 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.66 -58.18 7.64 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 120.864 0.364 . . . . 0.0 111.395 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -68.35 -39.06 82.0 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.131 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.5 mt -69.22 -43.49 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 123.101 0.251 . . . . 0.0 110.869 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -61.94 -58.52 7.6 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.61 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.71 -57.15 13.9 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 123.71 0.631 . . . . 0.0 110.331 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.728 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -43.58 -58.38 2.67 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.13 -175.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.41 -58.65 4.38 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.965 0.791 . . . . 0.0 112.232 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.3 -57.95 5.92 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.418 0.627 . . . . 0.0 110.068 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -78.56 24.54 0.28 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.862 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.728 ' HB1' ' O ' ' A' ' 34' ' ' ALA . . . -109.16 -55.55 2.4 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.594 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 1.78 51.2 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.784 0 O-C-N 125.778 1.924 . . . . 0.0 111.092 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -66.08 -51.29 59.44 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.332 -174.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -77.87 -16.48 58.24 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.47 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 51.74 55.38 9.41 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.537 0.208 . . . . 0.0 110.905 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.419 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 46.3 t0 -99.6 -11.99 20.49 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.438 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 63.24 5.88 2.16 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.697 0.799 . . . . 0.0 111.192 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 43' ' ' ASP . 74.2 m80 -116.12 173.07 6.77 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.7 mt -128.41 110.12 12.04 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.881 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -110.08 146.76 34.85 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' ARG . 8.8 t80 -41.31 -44.41 2.72 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 123.784 0.677 . . . . 0.0 111.43 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -48.58 -54.48 14.38 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.633 0.583 . . . . 0.0 111.135 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -59.75 -50.94 71.85 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.565 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -66.77 -23.72 66.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' PHE . 70.4 ttp85 -81.72 -61.97 1.77 Allowed 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.43 -36.31 73.91 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -64.53 -55.37 21.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.562 0.539 . . . . 0.0 112.395 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.17 -28.3 57.28 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.998 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 62.9 tttp -56.33 -46.05 80.07 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -177.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.4 m -63.61 -4.13 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -95.5 10.6 35.97 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.899 0.479 . . . . 0.0 110.826 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.39 -2.4 74.25 Favored Glycine 0 N--CA 1.473 1.126 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.429 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 1.8 m80 -81.41 140.69 34.53 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.02 160.38 14.74 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.85 -30.42 70.59 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.136 0.493 . . . . 0.0 110.285 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.05 83.94 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.268 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -56.13 -22.42 28.32 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.3 mt -53.04 -31.12 17.0 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -61.24 -43.2 99.26 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.59 -53.66 26.35 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.86 -25.1 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -63.9 1.11 Allowed 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.651 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.44 -19.45 0.32 Allowed 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.724 0.773 . . . . 0.0 111.235 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -80.91 -37.31 29.83 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.684 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -115.21 -23.72 8.83 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.18 129.03 42.45 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 123.264 0.625 . . . . 0.0 110.912 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.45 ' CG2' ' H ' ' A' ' 75' ' ' ASP . 27.2 m -73.85 -60.44 2.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.367 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.45 ' H ' ' CG2' ' A' ' 74' ' ' VAL . 46.8 p-10 -116.8 18.3 14.87 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.187 0.995 . . . . 0.0 111.225 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 78' ' ' ARG . . . 54.38 36.55 58.09 Favored Glycine 0 N--CA 1.478 1.489 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -70.99 5.03 2.22 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 76' ' ' GLY . 81.6 mtt85 51.93 22.84 1.9 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.6 p -146.38 119.53 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mp -140.1 97.45 3.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.641 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 83' ' ' GLU . 9.0 t70 -89.24 -168.29 2.13 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 177.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.59 -17.11 0.08 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 122.705 0.402 . . . . 0.0 111.868 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 81' ' ' ASP . 0.4 OUTLIER -66.82 -62.94 1.19 Allowed 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.095 -178.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -87.49 -24.59 24.05 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 120.987 0.422 . . . . 0.0 110.971 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -64.78 -40.52 95.39 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.062 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.1 ttt -46.99 -41.23 15.96 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.04 -36.06 80.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.528 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.5 ttt -60.2 -62.46 1.85 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.52 -42.84 55.54 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -63.32 -44.16 95.76 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.584 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -65.19 -41.96 94.08 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.8 0.333 . . . . 0.0 111.12 -178.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.44 -38.6 91.61 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.052 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -64.69 -42.94 94.97 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.618 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.51 -38.22 94.54 Favored Glycine 0 N--CA 1.467 0.73 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -42.72 96.55 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.48 -49.58 76.23 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.173 0.295 . . . . 0.0 110.412 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.3 m -62.36 -44.18 97.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.865 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.79 -38.18 89.62 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.478 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.1 tp -63.72 -43.92 95.12 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.962 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -51.19 -37.56 47.26 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.816 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -74.19 -47.23 36.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.822 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -51.68 -45.94 63.64 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.73 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.528 ' O ' ' O ' ' A' ' 104' ' ' ALA . 12.4 tp -172.29 64.06 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.274 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' A' ' 103' ' ' LEU . . . 23.9 -151.62 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 118.745 0.702 . . . . 0.0 111.305 177.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -168.77 -3.57 0.02 OUTLIER 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 tt -168.24 62.48 0.07 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 121.461 0.648 . . . . 0.0 111.04 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 N--CA 1.472 0.643 0 CA-C-O 117.663 -1.161 . . . . 0.0 109.84 178.839 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.7 45.64 1.61 Allowed Glycine 0 N--CA 1.471 0.998 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.7 mt -64.08 -44.16 93.22 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.026 0.441 . . . . 0.0 110.327 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -71.19 128.13 90.7 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.68 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -54.83 150.72 35.83 Favored 'Trans proline' 0 N--CA 1.502 1.99 0 C-N-CA 121.98 1.787 . . . . 0.0 111.317 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -62.96 -37.41 86.99 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.626 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.71 -58.38 0.07 OUTLIER Glycine 0 N--CA 1.463 0.472 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.9 t -67.42 173.65 3.9 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.569 ' CE1' ' HZ3' ' A' ' 24' ' ' LYS . 13.9 t-80 -165.71 -83.09 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.117 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.0 mtt -65.42 -39.17 91.8 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.431 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.77 85.1 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -67.11 -44.05 80.93 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HZ3' ' CE1' ' A' ' 20' ' ' HIS . 55.8 mtmt -72.5 -19.44 61.54 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.839 -179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -46.68 -35.54 6.15 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 123.725 0.641 . . . . 0.0 110.962 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.32 -47.48 14.45 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.54 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -62.92 -23.27 67.29 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.204 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.8 mm -58.89 -55.8 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.13 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.43 -20.25 40.75 Favored 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 123.672 0.607 . . . . 0.0 109.866 -177.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.73 -38.71 49.09 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -67.79 -23.97 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.647 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.548 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -82.08 -56.45 3.93 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 123.579 0.55 . . . . 0.0 111.971 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.19 -40.25 93.23 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.536 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.765 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.98 -58.17 2.94 Favored 'General case' 0 C--O 1.193 -1.869 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.423 -175.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.47 -58.66 4.78 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.209 0.943 . . . . 0.0 111.607 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.81 -56.49 8.54 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.572 0.701 . . . . 0.0 109.623 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -80.96 25.04 0.47 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.975 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.765 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -111.32 -56.55 2.36 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 118.058 -0.973 . . . . 0.0 111.2 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' ALA . 11.2 p30 7.4 49.85 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 O-C-N 125.494 1.746 . . . . 0.0 110.945 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.77 -50.81 70.85 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.239 -175.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -76.44 -16.84 59.59 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.761 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 41.2 55.18 3.32 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.417 0.448 . . . . 0.0 110.947 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -101.2 -9.61 21.13 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.273 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 74.41 4.05 4.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.336 1.054 . . . . 0.0 110.511 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.9 135.87 50.59 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.04 126.75 35.56 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -112.11 139.72 47.39 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -45.91 -44.65 14.77 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.341 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -51.49 -56.03 15.65 Favored 'General case' 0 C--N 1.341 0.214 0 O-C-N 123.454 0.471 . . . . 0.0 111.031 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -55.41 -46.62 76.63 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.495 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -60.46 -60.02 4.48 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 121.249 0.547 . . . . 0.0 110.904 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -50.68 -53.59 29.93 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.947 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.05 -44.18 85.32 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 123.744 0.652 . . . . 0.0 112.158 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -59.6 -51.62 69.03 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.406 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.18 -33.92 75.34 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -53.25 -48.18 68.45 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.676 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.73 -15.82 33.26 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.014 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 17.85 0.6 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.51 14.13 80.53 Favored Glycine 0 N--CA 1.462 0.406 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.428 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -104.35 150.48 24.44 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.41 160.13 14.67 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -59.45 -43.26 93.19 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.55 -49.03 79.17 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.049 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -59.92 -39.67 86.26 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.701 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.08 -23.45 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.638 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -57.73 -35.43 70.67 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.835 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.04 -40.88 62.54 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.141 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.52 -22.69 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.132 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -61.64 -64.25 1.0 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.1 0.476 . . . . 0.0 111.529 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.48 -16.82 2.56 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.144 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -52.51 -57.31 10.33 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.595 0.559 . . . . 0.0 110.441 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 74' ' ' VAL . 72.0 m-85 -99.02 -41.09 7.72 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.0 62.49 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.211 0.944 . . . . 0.0 110.238 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 72' ' ' TYR . 54.4 t -60.09 -48.55 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -66.99 -12.9 61.17 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 78' ' ' ARG . . . 47.26 18.65 0.54 Allowed Glycine 0 C--N 1.35 1.354 0 N-CA-C 112.728 -0.149 . . . . 0.0 112.728 177.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -69.75 14.8 0.09 Allowed 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.543 ' H ' ' C ' ' A' ' 76' ' ' GLY . 86.9 mtm180 54.41 10.06 0.3 Allowed 'General case' 0 C--N 1.347 0.486 0 C-N-CA 122.92 0.488 . . . . 0.0 111.771 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.6 t -147.28 132.72 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.662 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' N ' ' CD2' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -141.38 141.45 33.79 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 106.039 -1.838 . . . . 0.0 106.039 178.302 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -82.84 172.68 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.36 0.6 . . . . 0.0 110.493 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.29 -15.15 1.43 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.275 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -67.62 -39.05 84.72 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.295 0.569 . . . . 0.0 111.051 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -67.46 -26.02 66.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.524 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.34 -42.95 92.36 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.3 tpt -59.49 -47.34 85.9 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -63.76 -39.24 93.78 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.857 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 24.9 ttt -54.67 -60.02 3.93 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.96 -45.37 15.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.32 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -59.76 -30.14 68.65 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.973 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -76.58 -50.76 13.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.445 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.09 -41.97 99.5 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -50.35 -30.47 12.26 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.127 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.12 -32.15 83.2 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.46 -41.65 98.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.033 0.444 . . . . 0.0 110.358 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -58.14 -42.77 86.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.285 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.2 t -61.59 -38.8 88.89 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.193 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.41 -44.18 97.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.355 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.62 -40.83 97.9 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.645 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -55.03 -48.16 73.77 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.46 -40.11 77.32 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.075 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -50.58 -49.81 55.32 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.789 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.8 tp -145.41 147.44 32.24 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.086 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -39.66 149.46 0.06 Allowed 'General case' 0 N--CA 1.474 0.757 0 O-C-N 124.221 0.951 . . . . 0.0 110.888 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -171.41 24.65 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.515 0.509 . . . . 0.0 110.063 -178.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.3 mt -83.97 4.54 29.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.15 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.721 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.14 -39.38 97.09 Favored Glycine 0 N--CA 1.467 0.733 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.9 -35.43 81.1 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 120.643 0.259 . . . . 0.0 110.499 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 p -160.79 103.62 1.3 Allowed Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.499 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -71.96 -15.28 29.43 Favored 'Trans proline' 0 N--CA 1.508 2.359 0 C-N-CA 121.735 1.623 . . . . 0.0 111.651 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -68.17 -21.39 64.9 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.641 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.32 -166.4 48.3 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.7 t -167.68 79.16 0.18 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.942 0.401 . . . . 0.0 110.445 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -167.46 13.02 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.61 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -37.51 87.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 O-C-N 123.216 0.322 . . . . 0.0 110.754 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.16 -56.84 17.03 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.692 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' A' ' 24' ' ' LYS . 98.3 p -62.78 -43.76 97.97 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.662 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' N ' ' HG ' ' A' ' 23' ' ' SER . 87.1 tttt -60.67 -42.82 97.85 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.448 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.4 mmp_? -73.56 -44.56 57.12 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.545 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -63.79 -15.58 59.07 Favored 'General case' 0 CA--C 1.51 -0.588 0 O-C-N 123.398 0.436 . . . . 0.0 110.199 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -52.72 -17.34 1.28 Allowed 'General case' 0 C--O 1.241 0.632 0 CA-C-O 121.401 0.62 . . . . 0.0 111.672 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.8 pt -63.28 -25.68 39.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.431 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.188 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.74 -56.46 13.66 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.46 0.648 . . . . 0.0 111.252 -177.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -67.9 -38.91 83.59 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.515 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.0 mt -70.0 -44.41 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 121.047 0.451 . . . . 0.0 111.653 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -56.53 -58.67 7.05 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.41 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -60.59 -54.92 39.6 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.226 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.782 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -41.82 -60.98 1.21 Allowed 'General case' 0 C--O 1.188 -2.142 0 O-C-N 123.975 0.797 . . . . 0.0 109.513 -175.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' N ' ' OE2' ' A' ' 54' ' ' GLU . 34.6 tp -65.65 -57.59 7.74 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.753 0.787 . . . . 0.0 112.166 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.24 -60.81 2.49 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.668 0.747 . . . . 0.0 111.116 -175.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -80.45 25.26 0.42 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.466 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.782 ' HB3' ' O ' ' A' ' 34' ' ' ALA . . . -115.36 -55.92 2.41 Favored 'General case' 0 CA--C 1.49 -1.36 0 CA-C-O 117.026 -1.464 . . . . 0.0 111.493 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 38' ' ' ALA . 57.1 m-20 5.83 51.83 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 125.56 1.788 . . . . 0.0 111.126 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.682 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.98 -52.69 62.02 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.054 -175.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -76.41 -17.04 59.56 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 124.024 0.828 . . . . 0.0 110.438 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 49.05 56.75 7.31 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.282 0.364 . . . . 0.0 111.806 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 p30 -103.7 -9.71 18.92 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.2 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 64.07 6.47 2.9 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 124.267 0.98 . . . . 0.0 111.384 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.405 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 80.1 m80 -127.63 137.42 52.53 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 tp -96.12 122.48 39.0 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.422 1.076 . . . . 0.0 111.407 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -111.34 143.56 41.95 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -46.05 -47.58 16.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.62 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -47.05 -57.56 4.92 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.38 0.609 . . . . 0.0 111.207 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -56.23 -44.31 79.47 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.167 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -59.13 -59.93 4.68 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.053 0.454 . . . . 0.0 110.666 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 59.2 ttp180 -51.49 -56.66 12.15 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.603 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.11 -43.47 95.21 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.743 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.417 ' OE2' ' N ' ' A' ' 35' ' ' LEU . 39.4 tt0 -60.88 -54.1 49.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.277 0.561 . . . . 0.0 110.845 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.65 -28.85 61.03 Favored 'General case' 0 CA--C 1.485 -1.528 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.516 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.4 tttm -54.44 -48.26 71.91 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -176.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.7 p -62.04 -6.03 2.63 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.441 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -94.23 15.84 16.35 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.623 0.369 . . . . 0.0 110.811 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.19 -1.92 80.59 Favored Glycine 0 N--CA 1.468 0.777 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.559 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -82.72 144.22 30.37 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.297 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.15 157.04 17.06 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -62.8 -31.78 72.83 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.838 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.09 -49.24 46.62 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.564 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -57.02 -32.06 65.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.481 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.523 ' O ' HG12 ' A' ' 68' ' ' VAL . 57.4 mt -56.56 -25.74 21.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 121.087 0.47 . . . . 0.0 110.355 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -55.14 -36.74 66.11 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.536 -177.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.45 -45.34 39.22 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.739 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 65' ' ' ILE . 2.2 p -61.32 -23.61 30.89 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.536 -177.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.87 -60.29 3.46 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.347 0.594 . . . . 0.0 109.791 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.52 -18.46 0.24 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.806 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -56.15 -57.77 10.79 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.079 -176.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.891 ' O ' ' N ' ' A' ' 74' ' ' VAL . 67.3 m-85 -99.44 -45.31 5.87 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-O 116.265 -1.826 . . . . 0.0 109.628 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' TYR . 17.1 p-10 7.07 36.75 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 125.763 1.915 . . . . 0.0 112.353 -178.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.891 ' N ' ' O ' ' A' ' 72' ' ' TYR . 2.8 p -41.98 -60.56 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -175.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.495 ' H ' ' CG1' ' A' ' 74' ' ' VAL . 48.3 t0 -103.49 -9.69 19.13 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 124.592 1.183 . . . . 0.0 109.583 178.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.6 29.3 0.14 Allowed Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' A' ' 79' ' ' VAL . 30.8 t70 -86.16 21.68 1.96 Allowed 'General case' 0 CA--C 1.508 -0.657 0 CA-C-O 121.057 0.456 . . . . 0.0 109.86 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.53 0.21 0.31 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.657 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.488 ' H ' ' C ' ' A' ' 77' ' ' ASP . 43.2 t -143.95 131.29 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.941 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -137.43 94.47 2.93 Favored 'General case' 0 CA--C 1.49 -1.349 0 O-C-N 125.194 1.559 . . . . 0.0 109.353 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.53 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 22.6 t70 -62.32 -170.5 0.02 OUTLIER 'General case' 0 C--O 1.256 1.444 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.53 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -62.28 -13.36 27.55 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 124.67 1.188 . . . . 0.0 111.435 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -70.4 -52.77 19.99 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -82.89 -22.18 34.04 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -63.26 -46.54 86.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.23 0.538 . . . . 0.0 110.872 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.1 tpp -50.01 -41.21 46.76 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.71 0.767 . . . . 0.0 110.024 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.91 -37.8 85.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.33 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 64.3 mtt -59.95 -60.9 3.09 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.992 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.2 -38.4 18.17 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.283 0.364 . . . . 0.0 111.096 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -73.42 -32.04 64.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.156 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -66.54 -41.15 89.14 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.028 0.442 . . . . 0.0 111.458 -178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.5 mt -52.2 -55.09 23.39 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.262 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.36 -43.69 80.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.813 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.68 -43.05 86.37 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -68.92 -35.04 76.36 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.69 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.4 -30.68 70.7 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-O 121.071 0.462 . . . . 0.0 110.559 -178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.4 t -57.41 -36.57 71.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.765 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -64.36 -36.96 85.84 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.258 0.552 . . . . 0.0 110.499 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.51 -39.25 85.14 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.533 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -50.12 -42.44 50.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.642 0.735 . . . . 0.0 110.076 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -68.06 -48.35 65.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.949 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -49.97 -46.52 52.52 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.262 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 179.62 73.78 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.679 0.612 . . . . 0.0 109.753 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.27 -52.94 59.8 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 122.026 -0.421 . . . . 0.0 110.923 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 51.92 59.98 4.16 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.09 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.2 41.6 1.21 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.047 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 CA--C 1.539 0.558 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.299 179.66 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.48 45.95 0.07 OUTLIER Glycine 0 N--CA 1.47 0.933 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mp -71.17 -44.29 65.77 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.566 0.222 . . . . 0.0 110.827 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.3 m -141.13 65.65 22.93 Favored Pre-proline 0 N--CA 1.482 1.165 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -70.25 -32.65 16.16 Favored 'Trans proline' 0 N--CA 1.503 2.04 0 C-N-CA 122.113 1.875 . . . . 0.0 111.168 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -98.9 141.42 31.7 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.932 0.493 . . . . 0.0 110.148 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.98 51.29 0.05 OUTLIER Glycine 0 C--N 1.338 0.647 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -168.43 21.31 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.569 0.223 . . . . 0.0 110.827 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -62.35 -15.86 50.89 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.441 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -61.5 -39.78 92.2 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.75 -38.65 56.27 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.76 0.314 . . . . 0.0 110.395 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.6 m -63.82 -38.66 91.94 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.396 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -61.25 -42.57 98.85 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.492 0.663 . . . . 0.0 110.22 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.67 ' HE ' ' HZ2' ' A' ' 96' ' ' LYS . 77.5 ttt180 -64.94 -42.39 94.71 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.43 0.633 . . . . 0.0 109.383 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.31 -25.19 64.1 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.603 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -62.42 -55.37 28.45 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.05 -40.69 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.432 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.73 -49.04 74.12 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -68.26 -36.54 79.6 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.792 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.6 mt -71.97 -37.57 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.176 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -62.36 -58.53 7.32 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.76 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -60.57 -58.06 10.09 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.331 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.675 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -43.81 -58.18 2.86 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.341 -175.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.74 -58.57 5.36 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 123.875 0.734 . . . . 0.0 111.796 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.57 -58.33 4.85 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.623 0.725 . . . . 0.0 110.254 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -79.42 23.84 0.38 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.689 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.748 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -105.82 -55.88 2.26 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.937 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 p30 2.89 47.46 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.619 0 O-C-N 125.827 1.954 . . . . 0.0 111.793 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.748 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -64.86 -51.6 61.15 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.85 -175.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.4 p-10 -77.28 -16.93 58.75 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.284 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.21 56.71 6.53 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.459 0.171 . . . . 0.0 111.181 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -104.17 -6.95 20.52 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 122.377 0.271 . . . . 0.0 110.424 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 61.14 6.25 1.26 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.754 0.822 . . . . 0.0 111.605 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.417 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 1.9 p80 -132.83 145.16 50.73 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.8 mt -124.44 113.14 17.76 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.947 0.779 . . . . 0.0 111.886 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -101.48 173.8 6.27 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.95 -51.09 17.79 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -52.83 -54.82 28.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 111.542 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -60.21 -50.8 72.22 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.033 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -58.52 -59.57 5.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.845 0.355 . . . . 0.0 111.422 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 40.9 ttm180 -51.85 -55.8 17.81 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.936 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -63.18 -41.9 99.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.48 -54.09 41.81 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.295 0.372 . . . . 0.0 110.897 -178.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.86 -27.75 60.38 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.1 tttp -55.82 -47.39 77.27 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.176 -0.61 . . . . 0.0 112.435 -176.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.0 t -61.1 -3.0 0.71 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -92.85 9.48 35.14 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.783 0.433 . . . . 0.0 110.354 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.01 7.72 63.95 Favored Glycine 0 N--CA 1.473 1.108 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.41 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 1.7 m80 -88.59 138.02 31.8 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.7 148.9 21.8 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -57.66 -33.32 68.19 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 110.55 -0.167 . . . . 0.0 110.55 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.17 -49.71 68.79 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.797 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.43 -27.74 68.07 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.188 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 68' ' ' VAL . 51.9 mt -63.6 -25.41 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -58.86 -29.47 66.99 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.23 -0.919 . . . . 0.0 110.068 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.86 -44.71 39.39 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.778 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 65' ' ' ILE . 3.2 m -67.33 -23.23 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.397 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -62.27 -65.84 0.63 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.795 0.331 . . . . 0.0 111.152 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.63 -17.22 1.19 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.154 0.582 . . . . 0.0 112.028 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -54.15 -56.72 15.45 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.362 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -115.64 2.63 13.78 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.132 0.573 . . . . 0.0 110.603 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -100.69 71.55 1.49 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.2 t -57.66 -54.09 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.641 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.22 -18.01 18.66 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.548 0.53 . . . . 0.0 109.676 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.554 ' C ' ' H ' ' A' ' 78' ' ' ARG . . . 36.71 66.49 0.48 Allowed Glycine 0 N--CA 1.475 1.25 0 O-C-N 123.959 0.787 . . . . 0.0 112.61 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.6 24.15 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.687 0.279 . . . . 0.0 110.66 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.554 ' H ' ' C ' ' A' ' 76' ' ' GLY . 14.0 tpp180 72.47 0.27 3.55 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.02 0.528 . . . . 0.0 110.294 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.51 139.55 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.4 mt -133.66 92.73 3.02 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -102.73 -167.21 1.36 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.38 -23.07 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.368 0 O-C-N 123.783 0.677 . . . . 0.0 112.502 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.67 -63.19 1.12 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.302 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -88.53 -24.19 22.98 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.177 0.591 . . . . 0.0 112.02 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -65.1 -43.25 92.68 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.59 -177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.2 ttt -55.05 -49.4 71.71 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.252 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -61.57 -40.91 96.42 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.252 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.7 ttp -62.54 -61.83 2.16 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.265 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.75 -44.85 38.99 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.634 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -58.26 -43.78 88.08 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.033 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.95 -43.57 87.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.972 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.44 -45.98 92.01 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.209 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.31 -40.35 93.66 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.64 -22.27 78.54 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -60.18 -40.61 90.58 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.964 0.411 . . . . 0.0 110.73 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.67 ' HZ2' ' HE ' ' A' ' 25' ' ' ARG . 52.9 tttp -59.19 -44.28 92.2 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.715 -178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.3 m -59.4 -42.56 92.03 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.456 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.89 -44.69 94.08 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.109 0.481 . . . . 0.0 110.425 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.54 -36.01 70.84 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.402 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -54.16 -44.51 71.51 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.875 0.369 . . . . 0.0 110.238 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -69.66 -46.88 65.11 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.306 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -52.92 -46.66 68.17 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.205 0.526 . . . . 0.0 110.416 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.7 mt -84.39 -2.01 56.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.709 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 56.84 172.37 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.337 0.398 . . . . 0.0 110.546 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -69.69 -69.56 0.34 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.9 mt 49.6 -118.84 1.18 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.987 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.529 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.089 -1.604 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.89 102.06 0.01 OUTLIER Glycine 0 N--CA 1.468 0.827 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mp -78.66 1.29 23.35 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 116.714 0.257 . . . . 0.0 110.495 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.4 t -138.42 68.75 46.57 Favored Pre-proline 0 C--O 1.239 0.519 0 O-C-N 123.709 0.63 . . . . 0.0 109.655 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.4 -63.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.874 1.716 . . . . 0.0 111.391 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -67.43 -41.12 85.33 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.5 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.83 -62.95 3.27 Favored Glycine 0 N--CA 1.467 0.727 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.7 t 51.58 49.61 20.53 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.743 0.782 . . . . 0.0 110.585 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -59.99 -37.97 81.23 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.484 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.4 mmt -56.48 -48.92 76.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.292 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.49 -44.64 72.82 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.493 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.495 ' HG ' ' N ' ' A' ' 24' ' ' LYS . 25.8 p -55.58 -42.29 74.53 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.128 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' N ' ' HG ' ' A' ' 23' ' ' SER . 68.3 mttm -60.84 -41.65 96.25 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.661 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -63.32 -45.15 92.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.873 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -70.33 -27.17 64.15 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.107 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -59.06 -53.94 52.68 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 123.83 0.706 . . . . 0.0 111.056 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.35 -40.6 88.97 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.094 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.73 -59.87 3.96 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.765 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.49 -27.63 67.72 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.387 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.1 mt -82.29 -37.15 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.641 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -51.89 -56.39 14.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.035 0.445 . . . . 0.0 110.928 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -63.17 -50.03 71.98 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.58 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.779 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -42.95 -60.08 1.75 Allowed 'General case' 0 C--O 1.205 -1.287 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.769 -173.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.443 ' HG ' ' H ' ' A' ' 36' ' ' ALA . 1.3 pp -68.24 -56.44 8.68 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.768 0.667 . . . . 0.0 111.621 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' H ' ' HG ' ' A' ' 35' ' ' LEU . . . -48.05 -58.83 3.94 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.417 0.627 . . . . 0.0 109.989 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -79.07 25.03 0.3 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.202 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.821 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -110.19 -55.73 2.42 Favored 'General case' 0 CA--C 1.492 -1.251 0 CA-C-O 117.422 -1.275 . . . . 0.0 112.034 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' ALA . 16.8 p-10 0.8 48.49 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.586 0 O-C-N 125.77 1.919 . . . . 0.0 111.397 -177.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.821 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.6 -51.83 66.91 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.715 -174.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -87.22 -14.56 40.73 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.933 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 62.0 54.16 2.84 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.547 0.53 . . . . 0.0 111.051 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -100.65 -24.32 14.46 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 65.33 9.63 5.84 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 123.73 0.644 . . . . 0.0 111.41 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.493 ' HE2' ' N ' ' A' ' 80' ' ' LEU . 15.6 t-80 -121.66 136.91 54.93 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.3 mt -97.21 98.47 10.04 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -99.43 147.75 24.93 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -40.74 -48.77 3.05 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -51.55 -56.21 14.73 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.587 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.63 -52.01 66.96 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.36 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -59.68 -59.94 4.64 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.043 0.449 . . . . 0.0 111.221 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 3.7 tmt_? -53.81 -54.11 42.99 Favored 'General case' 0 C--O 1.207 -1.176 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.633 -177.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.67 -45.69 88.99 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -59.39 -53.41 58.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.895 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.54 -28.23 60.87 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.817 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 22.3 ttpp -57.67 -47.56 81.97 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.319 -178.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.15 -9.44 23.03 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 123.209 0.318 . . . . 0.0 111.156 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.46 23.6 0.62 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.36 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.7 81.26 Favored Glycine 0 N--CA 1.465 0.625 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.4 OUTLIER -99.47 148.92 23.74 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.73 171.67 14.29 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -77.17 -39.62 48.34 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.623 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.55 -44.58 23.89 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.57 77.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.568 -177.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.3 tp -65.49 -24.78 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.815 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.667 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.99 -39.18 77.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.754 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.78 94.17 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.972 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.37 -48.78 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.532 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -70.62 -57.46 4.7 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.002 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -40.41 -36.54 0.56 Allowed 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.394 0.616 . . . . 0.0 111.727 -176.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -56.31 -9.92 0.79 Allowed 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.252 -0.885 . . . . 0.0 113.121 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.417 ' H ' ' C ' ' A' ' 70' ' ' ALA . 78.1 m-85 -109.29 -5.69 15.79 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.456 0.702 . . . . 0.0 111.475 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.44 119.14 21.33 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.5 t -80.53 -58.71 3.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.283 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -115.79 11.64 15.67 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.438 0.461 . . . . 0.0 110.813 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.32 19.44 72.43 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -70.46 -13.22 62.03 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 63.65 28.8 15.11 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.5 t -144.16 118.69 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.493 ' N ' ' HE2' ' A' ' 45' ' ' HIS . 43.8 mt -137.66 108.43 6.65 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -89.15 -167.97 2.04 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.375 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.72 -15.08 2.67 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.409 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -62.23 -59.16 5.44 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.185 0.516 . . . . 0.0 112.149 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -83.6 -20.86 32.95 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.367 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -56.92 -35.96 69.62 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.674 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 70.5 mtp -58.24 -45.26 88.09 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -57.81 -40.02 78.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.729 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 53.8 mtt -59.14 -61.03 2.94 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.484 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.19 73.83 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.992 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -54.16 -48.68 70.63 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.147 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.94 -41.93 77.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.285 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.3 mt -69.11 -35.87 76.89 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.491 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -69.54 -42.49 74.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.964 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.37 -45.92 35.99 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -59.21 -40.31 85.41 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.76 0.314 . . . . 0.0 110.644 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.7 -46.5 75.38 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.437 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 38.7 t -69.08 -23.97 64.09 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.326 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -84.77 -24.65 28.66 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.86 -44.38 69.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.367 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 101' ' ' ASN . 24.6 p30 -47.22 -28.2 1.8 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.662 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 78.0 m-20 -70.82 -47.46 59.3 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 121.704 0.764 . . . . 0.0 109.583 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -52.22 -42.78 63.84 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.496 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.8 mp -80.35 3.59 20.65 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.347 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.34 -57.12 2.89 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -55.0 152.64 7.29 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.88 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 tp 63.69 -179.14 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.111 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 . . . . . 0 C--O 1.216 -0.675 0 CA-C-O 117.798 -1.096 . . . . 0.0 110.337 179.121 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.33 19.42 70.5 Favored Glycine 0 N--CA 1.47 0.94 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 tp -63.27 -45.3 92.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.117 0.484 . . . . 0.0 110.289 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 t -63.99 119.78 58.16 Favored Pre-proline 0 CA--C 1.551 1.005 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.819 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -75.28 -30.3 6.92 Favored 'Trans proline' 0 N--CA 1.505 2.152 0 C-N-CA 122.121 1.881 . . . . 0.0 111.757 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -63.85 -63.8 1.07 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.025 0.441 . . . . 0.0 110.759 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.06 107.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.1 t -165.83 -174.85 3.19 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -151.28 -59.13 0.17 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.117 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.3 mtp -62.2 -47.2 85.51 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.11 0.481 . . . . 0.0 110.724 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.65 73.22 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.701 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.0 p -54.91 -45.78 74.77 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.067 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -62.06 -43.61 98.46 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.79 0.329 . . . . 0.0 111.02 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -65.8 -39.85 91.31 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.54 -40.13 95.03 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.693 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.82 -49.67 74.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.5 mt -58.54 -48.95 84.03 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.77 -30.99 64.17 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.465 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -85.74 -35.28 20.89 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.493 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.8 mt -82.21 -36.47 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.937 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -58.1 -57.46 12.75 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -62.12 -55.44 28.83 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 124.214 0.946 . . . . 0.0 110.236 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.755 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -43.82 -55.61 4.39 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.587 -176.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.34 -59.99 2.54 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 124.821 1.326 . . . . 0.0 111.141 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -48.43 -57.45 6.07 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 122.156 0.979 . . . . 0.0 110.402 -176.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -76.11 27.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.14 -1.845 . . . . 0.0 110.149 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 34' ' ' ALA . . . -113.57 -55.6 2.49 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.12 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' ALA . 61.6 m-20 8.74 49.21 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.741 0 O-C-N 125.809 1.943 . . . . 0.0 110.151 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.03 -51.96 67.4 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.306 -174.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -79.88 -14.91 58.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.388 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 52.67 55.74 8.62 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.748 0.308 . . . . 0.0 110.713 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -106.84 -15.12 14.81 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 68.59 8.24 6.57 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.618 0.574 . . . . 0.0 110.464 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.35 169.76 9.99 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mp -124.31 102.96 7.95 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.748 1.28 . . . . 0.0 111.24 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -102.91 141.58 35.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ARG . 22.4 t80 -40.57 -47.6 2.73 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 124.549 1.156 . . . . 0.0 112.264 -177.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -50.81 -50.11 57.04 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.238 0.336 . . . . 0.0 111.495 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -59.45 -51.89 67.96 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.641 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -70.98 -18.55 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.092 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' PHE . 56.9 ttp180 -79.77 -62.46 1.68 Allowed 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -69.52 -37.09 77.0 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.895 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -60.14 -55.38 34.57 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.292 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.35 -32.57 68.68 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.565 -175.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -56.14 -48.2 76.71 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -60.47 -8.96 3.07 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.372 0.42 . . . . 0.0 111.43 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -85.67 21.22 1.9 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.694 0.398 . . . . 0.0 110.82 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.53 14.18 78.76 Favored Glycine 0 C--O 1.226 -0.397 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.442 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -104.2 154.83 19.29 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.17 167.93 15.26 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -78.05 -33.4 51.0 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.747 0.655 . . . . 0.0 111.928 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.75 -44.8 26.55 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.595 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -58.33 -42.99 88.01 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.177 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.3 pt -68.68 -23.7 28.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.475 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -61.8 -39.33 91.36 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.121 0.263 . . . . 0.0 110.692 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.35 87.76 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.753 0.658 . . . . 0.0 110.561 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 t -71.17 -36.61 63.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.472 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -75.69 -62.62 1.52 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.147 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -39.83 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.178 0.513 . . . . 0.0 111.926 -176.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -55.04 -11.04 0.59 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.21 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.457 ' H ' ' C ' ' A' ' 70' ' ' ALA . 38.8 m-85 -109.17 -5.55 15.91 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.646 0.378 . . . . 0.0 111.406 -179.393 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -92.87 57.74 2.87 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.33 -45.22 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -69.47 -13.71 62.49 Favored 'General case' 0 C--O 1.23 0.046 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.23 12.04 68.39 Favored Glycine 0 C--N 1.341 0.826 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -89.65 -15.03 33.58 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 117.087 0.443 . . . . 0.0 110.285 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 71.84 35.52 1.35 Allowed 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.626 0.579 . . . . 0.0 112.182 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 m -146.31 124.33 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.89 109.52 5.97 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.545 -178.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 83' ' ' GLU . 17.8 p-10 -99.41 -168.12 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.87 -17.23 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.177 0.591 . . . . 0.0 112.058 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 81' ' ' ASP . 72.9 tt0 -66.26 -61.45 2.01 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.747 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -86.24 -21.8 27.22 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.225 0.536 . . . . 0.0 111.158 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -60.97 -45.5 94.53 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.839 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -51.2 -46.58 62.22 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.131 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -59.04 -41.33 87.58 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.187 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.1 ttt -65.44 -60.07 3.34 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.445 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.72 -39.71 74.41 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.242 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -60.55 -51.27 70.13 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -70.41 -37.09 74.39 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.76 -44.66 95.63 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.148 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.24 -37.66 88.1 Favored 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.882 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.3 -27.45 59.69 Favored Glycine 0 C--N 1.339 0.7 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.71 -42.63 99.74 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.763 0.316 . . . . 0.0 110.19 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.05 -42.64 98.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.675 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.0 m -61.99 -42.04 98.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.267 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -62.76 -39.38 93.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.27 -42.07 69.24 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.079 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -44.91 80.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 104' ' ' ALA . 25.7 t-20 -63.93 -59.55 4.37 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.22 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.518 ' C ' ' H ' ' A' ' 104' ' ' ALA . 90.7 mm-40 -44.3 -34.0 1.79 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.352 0.596 . . . . 0.0 110.575 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 tp -65.95 6.59 0.35 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.724 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 102' ' ' GLN . . . -59.82 -50.42 73.87 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -58.21 89.35 0.01 OUTLIER 'General case' 0 C--N 1.346 0.438 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.153 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.7 tt -160.15 99.56 1.35 Allowed 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 . . . . . 0 CA--C 1.539 0.522 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.924 178.861 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.063 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.41 83.73 0.06 OUTLIER Glycine 0 N--CA 1.466 0.685 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tt -161.78 -52.4 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.233 0.539 . . . . 0.0 109.636 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.8 t -52.21 118.96 13.46 Favored Pre-proline 0 CA--C 1.552 1.045 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.135 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -73.95 160.68 42.72 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.014 1.809 . . . . 0.0 110.847 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -71.67 -7.53 48.53 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.747 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.89 145.02 43.97 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.7 m -65.24 -78.57 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -168.06 -58.53 0.02 OUTLIER 'General case' 0 C--O 1.227 -0.103 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.131 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 38.4 ttm -61.34 -38.94 88.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.72 -33.69 23.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.474 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.2 p -63.75 -37.21 86.53 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.032 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' HZ2' ' CD ' ' A' ' 95' ' ' GLN . 58.8 tttm -57.29 -43.32 83.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.438 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -63.55 -44.83 93.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.3 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -68.65 -29.12 67.54 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.247 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.14 -59.25 5.71 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.333 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 pt -63.2 -38.62 82.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.52 -30.53 65.22 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.582 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -85.06 -34.64 22.22 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.29 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -82.29 -36.94 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.686 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -58.21 -58.72 7.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.473 0.483 . . . . 0.0 111.194 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.476 ' CG ' ' H ' ' A' ' 34' ' ' ALA . 6.9 pt-20 -61.71 -56.12 23.03 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.778 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.72 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -44.38 -58.74 2.76 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.09 -175.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.7 tp -65.32 -59.54 3.94 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 124.611 1.194 . . . . 0.0 111.726 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.92 -54.08 13.85 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.564 0.697 . . . . 0.0 109.861 -176.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -83.36 23.75 0.88 Allowed 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.672 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.789 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -107.3 -55.26 2.36 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.353 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' ALA . 19.1 p-10 1.71 50.04 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.019 0 O-C-N 125.351 1.657 . . . . 0.0 110.962 -177.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.789 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.91 -51.01 69.91 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.571 -174.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -91.87 -16.41 26.73 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.689 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 57.31 55.59 5.73 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 123.351 0.407 . . . . 0.0 111.79 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -99.06 -18.82 17.55 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 70.64 5.93 5.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.525 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -121.42 134.42 55.09 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.18 114.79 22.56 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -104.79 134.66 47.55 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.419 -1.264 . . . . 0.0 108.246 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -44.88 -44.13 9.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.676 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -53.87 -52.73 59.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.932 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -62.43 -51.94 65.51 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.732 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 23.0 t-105 -60.45 -60.02 4.48 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.066 0.46 . . . . 0.0 110.981 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.445 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 7.1 tmm_? -50.87 -50.53 56.88 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.469 -177.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -66.1 -40.51 90.84 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.128 0.893 . . . . 0.0 111.699 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -60.91 -53.49 56.61 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.746 0.654 . . . . 0.0 111.218 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.89 -28.66 60.73 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.804 -176.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.447 ' C ' ' H ' ' A' ' 58' ' ' ARG . 88.2 tttt -55.42 -48.19 74.8 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -176.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.8 p -59.51 -4.15 0.57 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.447 ' H ' ' C ' ' A' ' 56' ' ' LYS . 33.0 mtp85 -100.32 13.2 35.19 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.498 0.499 . . . . 0.0 111.747 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.53 -20.78 25.37 Favored Glycine 0 N--CA 1.476 1.348 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -64.29 142.19 58.5 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.34 168.19 11.23 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -76.99 -33.64 57.57 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.8 0.688 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.82 -46.71 67.92 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -177.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.18 -40.66 96.58 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.8 pt -76.43 -22.38 15.33 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.832 0 O-C-N 123.189 0.306 . . . . 0.0 110.889 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -54.9 -40.73 70.13 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.454 0.471 . . . . 0.0 111.516 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.24 -31.9 66.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.994 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 t -84.74 -37.56 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -74.37 -36.79 63.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.86 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.72 -15.95 58.78 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 123.151 0.58 . . . . 0.0 111.768 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -56.62 -12.52 1.84 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -106.19 -2.08 22.89 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.336 0.254 . . . . 0.0 110.974 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.32 136.46 33.47 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -58.99 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.692 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -116.73 27.44 9.17 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.544 0.738 . . . . 0.0 110.662 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.15 39.75 98.06 Favored Glycine 0 C--N 1.343 0.945 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -74.17 -15.46 61.02 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.451 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 75.11 -0.22 3.36 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 124.502 1.126 . . . . 0.0 111.728 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.31 133.74 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.888 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -141.78 134.99 29.24 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.546 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 83' ' ' GLU . 7.2 p-10 -87.62 -168.06 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.329 0.585 . . . . 0.0 109.89 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.32 -14.9 0.11 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.285 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 81' ' ' ASP . 77.3 tt0 -68.32 -62.36 1.43 Allowed 'General case' 0 C--N 1.343 0.296 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.61 -177.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.51 -21.97 26.66 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.898 0.479 . . . . 0.0 111.393 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -62.3 -38.9 91.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.493 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.5 ttm -53.51 -46.9 70.26 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -59.0 -39.57 82.23 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.258 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 28.2 ttt -64.69 -60.98 2.49 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.747 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.39 20.16 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.534 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -63.96 -47.39 80.63 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.293 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -61.24 -41.72 97.37 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.144 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.15 -38.31 87.81 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.976 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -72.22 -49.14 37.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.306 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.58 -17.73 60.44 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.438 ' CD ' ' HZ2' ' A' ' 24' ' ' LYS . 19.4 tp60 -58.33 -40.87 83.25 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.107 -0.547 . . . . 0.0 110.767 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.02 -56.13 25.75 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.931 0.396 . . . . 0.0 111.465 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 93.9 p -53.72 -41.92 67.54 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.326 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -59.86 -47.09 87.13 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.07 -32.7 61.56 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.467 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -57.67 -48.95 78.09 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.851 -0.339 . . . . 0.0 110.091 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' GLU . 63.7 m-80 -69.28 -49.33 57.07 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.293 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -48.95 -44.94 41.19 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.209 0.528 . . . . 0.0 111.047 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.98 4.68 3.96 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.749 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -130.63 -66.54 0.76 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 101' ' ' ASN . 41.1 tp10 -48.07 133.63 14.77 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 38.39 -135.47 0.1 Allowed 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.332 1.02 . . . . 0.0 109.791 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 . . . . . 0 C--N 1.313 -0.983 0 CA-C-O 117.862 -1.066 . . . . 0.0 108.795 178.844 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.054 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.82 22.5 78.23 Favored Glycine 0 N--CA 1.471 1.017 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.8 mt -68.88 155.0 41.02 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.2 p -160.87 130.26 3.23 Favored Pre-proline 0 N--CA 1.443 -0.802 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.891 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.94 -37.77 57.0 Favored 'Trans proline' 0 N--CA 1.506 2.231 0 C-N-CA 122.242 1.961 . . . . 0.0 112.787 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -60.95 149.85 35.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.169 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.01 101.59 0.15 Allowed Glycine 0 C--N 1.33 0.244 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.4 t -62.08 -12.13 17.6 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.724 0.297 . . . . 0.0 110.666 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -58.18 -41.85 84.78 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.462 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.7 mtt -71.51 -46.6 59.25 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.012 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.66 -35.01 12.88 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.986 0.422 . . . . 0.0 110.434 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.8 m -59.31 -38.09 79.4 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.581 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -60.96 -41.86 97.15 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.196 0.522 . . . . 0.0 110.422 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -60.99 -46.97 88.61 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.066 -179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -70.46 -27.68 64.42 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.429 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.93 -58.82 6.88 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 123.707 0.629 . . . . 0.0 111.211 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.83 -43.05 96.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.086 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.57 -57.79 9.48 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.811 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -31.93 72.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.677 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.7 mt -78.65 -36.9 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.83 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -57.91 -57.87 10.89 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.159 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -60.96 -54.98 38.29 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 123.914 0.759 . . . . 0.0 110.186 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.785 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.84 -57.4 3.29 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.279 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.7 tp -69.73 -59.25 3.07 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 124.221 0.951 . . . . 0.0 111.489 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -49.12 -58.29 5.22 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 122.19 0.995 . . . . 0.0 110.072 -176.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -72.58 24.44 0.06 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.801 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -116.24 -54.95 2.44 Favored 'General case' 0 CA--C 1.477 -1.831 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.4 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ALA . 61.2 m-20 6.82 50.1 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.559 0 O-C-N 125.663 1.852 . . . . 0.0 110.578 -178.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.678 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.61 -52.31 65.7 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.099 -173.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' ALA . 64.0 m-80 -90.3 18.67 5.81 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.92 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . 29.29 53.4 0.1 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.094 0.871 . . . . 0.0 109.833 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -95.68 -24.75 16.4 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.466 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 65.64 8.28 5.05 Favored 'General case' 0 CA--C 1.512 -0.491 0 O-C-N 124.095 0.872 . . . . 0.0 111.614 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.617 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -121.44 174.21 6.89 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.664 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mp -124.84 102.25 7.47 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.545 1.153 . . . . 0.0 112.083 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -104.13 142.84 33.78 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 52' ' ' ARG . 17.2 t80 -38.79 -48.96 1.58 Allowed 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 123.418 0.687 . . . . 0.0 112.543 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -47.67 -54.88 10.71 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.356 0.598 . . . . 0.0 111.447 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.41 -52.37 65.9 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.771 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.7 t-105 -69.16 -20.01 64.01 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.236 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' PHE . 5.6 tmm_? -81.78 -62.46 1.63 Allowed 'General case' 0 C--O 1.214 -0.775 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -70.67 -38.98 73.82 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.438 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -60.14 -54.39 46.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.894 -176.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mp -76.18 -26.87 56.61 Favored 'General case' 0 CA--C 1.49 -1.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.74 -48.15 78.42 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 119.868 -0.733 . . . . 0.0 112.937 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.1 p -61.18 -6.34 2.01 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.895 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -89.07 18.38 5.0 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.74 7.95 77.47 Favored Glycine 0 C--O 1.223 -0.543 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -95.37 148.22 22.68 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.4 162.77 17.13 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.53 0.519 . . . . 0.0 109.622 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -71.3 -35.53 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.145 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.45 -46.29 20.12 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.271 0.558 . . . . 0.0 112.211 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -61.8 -39.13 90.66 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.8 tp -71.81 -26.67 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 CA-C-O 121.745 0.784 . . . . 0.0 111.614 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.62 -40.56 76.53 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.828 -176.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.0 -50.51 73.16 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.091 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.84 -27.81 28.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' LYS . 80.5 t80 -74.32 -62.16 1.61 Allowed 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.503 ' O ' ' OD1' ' A' ' 73' ' ' ASP . . . -40.83 -21.51 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 122.481 1.134 . . . . 0.0 111.098 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' PHE . 80.3 tttt -53.94 -11.95 0.5 Allowed 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.113 -0.992 . . . . 0.0 111.36 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.457 ' H ' ' C ' ' A' ' 70' ' ' ALA . 35.9 m-85 -108.93 -7.59 15.39 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.503 ' OD1' ' O ' ' A' ' 70' ' ' ALA . 42.0 p30 -91.01 58.95 3.91 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.9 t -51.74 -46.91 39.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.803 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -73.45 -13.5 61.08 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.885 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.68 20.41 77.32 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -79.89 -15.33 57.56 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.322 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 ttm-85 80.17 0.49 2.02 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 124.704 1.253 . . . . 0.0 111.89 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.43 140.33 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.78 133.66 25.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 83' ' ' GLU . 56.4 m-20 -96.53 -168.34 1.71 Allowed 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.73 -16.6 0.13 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.751 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 81' ' ' ASP . 76.5 tt0 -64.42 -61.06 2.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.536 -177.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -86.33 -22.43 26.72 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.045 0.538 . . . . 0.0 110.551 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -61.12 -36.48 79.84 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.566 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.0 ttp -58.22 -45.38 87.79 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.91 -39.4 85.29 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.283 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.0 ttp -58.83 -62.3 1.98 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.3 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.19 -48.72 54.01 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -39.46 67.15 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.369 0.604 . . . . 0.0 111.177 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.4 -42.23 79.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.62 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.53 -27.44 65.17 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.201 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -70.24 -42.78 71.78 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.437 0.461 . . . . 0.0 110.185 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.75 -39.84 90.01 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.35 -42.32 98.5 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.91 -49.84 75.82 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.808 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.9 p -68.9 -44.72 72.62 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.047 0.451 . . . . 0.0 110.449 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.83 -38.11 89.47 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.241 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.49 -44.91 89.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.471 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -53.63 -38.07 63.7 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.741 -178.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -68.56 -52.11 35.43 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.399 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -49.07 -40.28 31.08 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.09 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.6 mt -97.09 -1.77 44.58 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.3 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 56.65 176.28 0.04 OUTLIER 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.099 0.476 . . . . 0.0 110.188 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -69.77 -68.93 0.38 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.769 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.3 tp 57.9 -120.1 1.21 Allowed 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.139 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 CA--C 1.537 0.466 0 CA-C-O 117.843 -1.075 . . . . 0.0 110.394 178.688 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.439 ' H2 ' ' H ' ' A' ' 13' ' ' GLY . . . . . . . . 0 N--CA 1.492 2.38 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.439 ' H ' ' H2 ' ' A' ' 12' ' ' GLY . . . 62.27 56.67 20.64 Favored Glycine 0 N--CA 1.469 0.868 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.01 129.99 40.96 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.5 m -67.03 146.31 99.05 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.318 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -72.86 3.26 4.57 Favored 'Trans proline' 0 N--CA 1.503 2.058 0 C-N-CA 122.083 1.856 . . . . 0.0 111.127 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 53.5 33.1 15.38 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.1 0.476 . . . . 0.0 110.653 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.68 72.25 0.13 Allowed Glycine 0 N--CA 1.465 0.622 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.0 m -162.9 64.29 0.19 Allowed 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.405 0.622 . . . . 0.0 109.909 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -61.63 -36.39 80.63 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.001 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.5 mmm -61.41 -49.45 76.81 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.945 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.45 -45.33 76.88 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.716 0.293 . . . . 0.0 110.451 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.6 t -55.8 -43.98 77.36 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.43 -44.63 95.57 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.768 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -66.14 -41.8 89.96 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.99 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.42 -39.5 94.65 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -57.65 -52.16 66.55 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.492 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.68 -47.91 84.57 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.78 -45.79 74.34 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.82 -36.74 64.98 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.927 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.5 mt -77.3 -38.88 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 122.565 0.346 . . . . 0.0 111.301 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.491 ' NE2' ' HZ1' ' A' ' 96' ' ' LYS . 51.3 tt0 -60.91 -57.34 13.07 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -177.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -62.0 -56.94 13.96 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.979 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.683 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.32 -56.32 3.59 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.638 -175.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.37 -59.42 3.41 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 123.698 0.624 . . . . 0.0 111.335 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.41 -57.47 5.28 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 121.69 0.757 . . . . 0.0 110.16 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -78.73 25.26 0.27 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.418 -1.265 . . . . 0.0 109.71 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -109.55 -55.56 2.41 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.682 179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' ALA . 15.0 p-10 4.46 51.07 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.618 0 O-C-N 125.683 1.865 . . . . 0.0 111.118 -177.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.17 -51.47 67.7 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.937 -174.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -85.64 -14.58 45.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.106 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 55.35 55.46 7.41 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.075 0.464 . . . . 0.0 110.599 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -102.29 -18.92 15.23 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.89 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 63.36 7.86 3.15 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.478 0.486 . . . . 0.0 111.778 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -122.66 138.17 54.68 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -90.04 100.49 13.3 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -95.92 137.09 35.49 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -44.47 -43.46 7.84 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -177.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -52.99 -55.57 22.56 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.45 -49.38 77.52 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -58.23 -59.63 5.02 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.843 0.354 . . . . 0.0 110.561 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -53.64 -54.17 41.57 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.979 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -62.69 -44.59 95.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.752 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -61.39 -54.12 47.82 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.287 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.12 -39.13 75.63 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.612 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -49.64 -47.82 49.66 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -175.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 60.8 m -60.7 -9.22 3.64 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -88.28 18.14 4.65 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.454 0.301 . . . . 0.0 110.66 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.9 10.91 77.89 Favored Glycine 0 N--CA 1.472 1.038 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -97.31 148.47 23.1 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.33 172.67 9.68 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.816 0.341 . . . . 0.0 110.132 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -75.95 -32.1 59.37 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.255 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.04 -43.52 24.06 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -60.69 -41.49 95.25 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 pp -69.4 -28.28 37.64 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.623 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -66.19 -43.67 86.14 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.82 76.15 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.935 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -72.73 -29.89 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.813 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -75.38 -63.35 1.3 Allowed 'General case' 0 C--N 1.346 0.43 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -40.11 -24.67 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -57.06 -10.84 1.26 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.786 1.234 . . . . 0.0 111.288 177.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.418 ' H ' ' C ' ' A' ' 70' ' ' ALA . 75.8 m-85 -110.71 -9.38 14.51 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.785 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -89.07 62.48 6.27 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.31 -45.0 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.415 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -70.33 -13.93 62.36 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.343 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.83 17.09 66.94 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.23 -15.07 32.1 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 119.664 -0.208 . . . . 0.0 110.508 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 67.99 41.03 2.15 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.803 0.69 . . . . 0.0 111.837 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 13.6 p -146.28 119.33 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -133.34 103.39 5.94 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.725 0.64 . . . . 0.0 110.249 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 21.3 p-10 -86.64 -168.79 2.37 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.379 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.39 -13.9 1.65 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.79 0.836 . . . . 0.0 112.824 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -65.19 -59.64 3.87 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -82.81 -19.86 36.87 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.402 0.681 . . . . 0.0 110.308 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -57.01 -36.04 69.94 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.825 0.345 . . . . 0.0 110.391 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.1 mtt -58.06 -44.91 87.74 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -57.36 -43.26 83.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.96 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 83.7 mtp -58.72 -61.46 2.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.743 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.53 -52.56 46.01 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.7 0.286 . . . . 0.0 111.049 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -54.1 -42.82 69.82 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.926 0.393 . . . . 0.0 111.364 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.19 -45.77 75.93 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.707 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.81 -32.52 73.86 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.999 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -65.89 -43.29 88.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.752 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.64 -44.8 88.87 Favored Glycine 0 N--CA 1.472 1.09 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -57.92 -42.36 84.61 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.564 0.221 . . . . 0.0 110.456 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.491 ' HZ1' ' NE2' ' A' ' 32' ' ' GLN . 39.7 ttmt -60.56 -48.13 83.13 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.34 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.5 m -62.2 -42.52 99.37 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.525 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -62.84 -39.51 94.57 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.573 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.2 mt -69.05 -41.79 77.17 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.051 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -57.31 -44.04 83.77 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.449 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -71.53 -52.65 17.12 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.428 0.455 . . . . 0.0 111.195 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -44.63 -37.5 3.67 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.333 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 70.0 mt -107.11 -8.57 16.45 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.769 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 43.39 -157.73 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 O-C-N 123.314 0.384 . . . . 0.0 110.127 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 45.77 84.74 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 48.7 mt -88.91 49.57 1.81 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.287 179.031 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.24 170.69 42.91 Favored Glycine 0 N--CA 1.465 0.576 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.56 -41.3 96.4 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.212 0.529 . . . . 0.0 110.525 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.13 149.86 43.97 Favored Pre-proline 0 N--CA 1.439 -1.003 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.423 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -48.28 142.72 16.23 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.116 1.877 . . . . 0.0 111.972 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -69.34 146.13 52.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.86 -49.97 0.02 OUTLIER Glycine 0 N--CA 1.463 0.476 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.5 m 51.64 27.94 4.38 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.889 0.376 . . . . 0.0 110.927 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.96 54.85 0.53 Allowed 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.914 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.0 mmt -62.09 -25.95 68.01 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.091 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.41 -37.33 62.41 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.389 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.0 p -64.47 -40.54 95.88 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.229 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.66 -43.47 84.99 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.312 0.577 . . . . 0.0 110.468 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -64.83 -39.06 92.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.91 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.09 -37.57 87.75 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.13 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.23 -50.55 73.17 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.332 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.0 mt -61.19 -48.29 89.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.67 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -31.23 64.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.354 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.85 -33.52 21.27 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.907 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -81.9 -35.55 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.877 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.17 -57.26 12.17 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.91 -59.07 5.66 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.477 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.777 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.09 -54.68 4.24 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-O 118.611 -0.709 . . . . 0.0 109.925 -175.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tp -67.81 -59.91 2.93 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 124.15 0.906 . . . . 0.0 111.313 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.52 -56.42 7.13 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.585 0.707 . . . . 0.0 110.035 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.447 ' ND1' ' N ' ' A' ' 37' ' ' HIS . 2.2 m80 -78.59 27.48 0.21 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.175 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -114.15 -56.28 2.41 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 118.054 -0.974 . . . . 0.0 111.797 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 38' ' ' ALA . 15.9 p-10 6.92 51.18 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 O-C-N 125.55 1.781 . . . . 0.0 110.485 -177.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.83 -52.5 65.19 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.322 -175.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -81.05 -14.88 57.41 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.566 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 52.92 56.86 6.99 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.202 0.314 . . . . 0.0 110.944 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.1 p-10 -108.24 -15.5 14.47 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 64.84 8.18 4.42 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 46' ' ' LEU . 9.9 t-80 -122.92 136.88 55.02 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' N ' ' ND1' ' A' ' 45' ' ' HIS . 40.6 mt -92.81 102.68 15.07 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 123.793 0.683 . . . . 0.0 111.711 -178.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -102.03 142.03 33.96 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.5 t80 -38.43 -47.36 1.25 Allowed 'General case' 0 C--O 1.208 -1.116 0 O-C-N 124.464 1.102 . . . . 0.0 111.542 -177.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -49.29 -53.99 19.18 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.291 0.37 . . . . 0.0 111.337 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -59.77 -52.15 66.71 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.607 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -68.98 -20.27 64.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.153 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' PHE . 71.8 ttt-85 -81.33 -62.57 1.62 Allowed 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -70.41 -37.88 74.53 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.024 -174.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -59.51 -56.05 26.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.435 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.11 -33.24 69.97 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.058 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.86 -48.23 70.23 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.219 -0.593 . . . . 0.0 112.242 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.3 m -59.7 -10.02 3.29 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.501 0.501 . . . . 0.0 111.304 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -86.75 20.41 2.57 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 122.556 0.342 . . . . 0.0 110.868 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.28 12.86 78.04 Favored Glycine 0 N--CA 1.462 0.431 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -102.59 152.67 20.9 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.98 152.45 22.04 Favored 'General case' 0 C--O 1.224 -0.267 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -65.57 -32.33 73.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.52 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.09 -46.53 20.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.437 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.57 -40.06 78.11 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.378 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.9 mt -62.34 -22.9 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.709 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -63.29 -38.68 92.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.897 -177.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.87 80.41 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.031 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.93 -37.15 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.552 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -78.27 -61.94 1.84 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.693 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -39.77 -28.46 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.503 -176.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -54.76 -10.69 0.49 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.359 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.463 ' H ' ' C ' ' A' ' 70' ' ' ALA . 74.8 m-85 -112.03 -4.75 14.4 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.614 0.366 . . . . 0.0 111.883 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -90.41 58.16 3.91 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.0 t -55.9 -46.44 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.228 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -69.92 -13.87 62.46 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.2 13.45 76.58 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.5 p30 -81.91 -14.49 56.09 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.74 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 74.64 5.52 4.47 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 124.374 1.046 . . . . 0.0 111.74 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.8 m -144.18 134.94 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pp -142.79 133.66 25.51 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 83' ' ' GLU . 3.5 p30 -98.33 -166.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 123.805 0.842 . . . . 0.0 109.776 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.33 -15.62 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.096 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.462 ' H ' ' C ' ' A' ' 81' ' ' ASP . 0.4 OUTLIER -66.48 -62.31 1.53 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.122 -178.415 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -86.51 -22.13 26.57 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.141 0.496 . . . . 0.0 111.377 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -62.29 -41.51 98.57 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.502 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.8 ttt -50.97 -47.05 61.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 111.489 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -61.1 -35.36 76.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.983 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.7 ttt -67.26 -59.51 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.497 0.498 . . . . 0.0 110.542 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.28 -38.89 63.5 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.176 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -45.44 84.2 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.545 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.87 -37.82 88.4 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 121.361 -0.136 . . . . 0.0 110.928 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.96 -34.55 78.01 Favored 'General case' 0 CA--C 1.506 -0.718 0 O-C-N 123.443 0.465 . . . . 0.0 110.672 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -68.19 -43.36 78.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.717 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.84 -29.26 67.51 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.82 -42.95 99.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.861 0.363 . . . . 0.0 110.495 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -59.55 -45.33 92.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.481 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.1 t -63.55 -43.43 97.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.519 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -61.64 -41.03 96.93 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.515 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.2 mt -65.66 -43.93 87.85 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.325 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -44.21 65.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.546 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -67.43 -51.99 45.03 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.553 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -49.9 -42.59 48.34 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.845 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.86 -0.59 57.65 Favored 'General case' 0 CA--C 1.492 -1.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.744 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 60.58 165.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 123.963 0.79 . . . . 0.0 109.993 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -68.7 -74.38 0.13 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.872 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 tp 53.81 -106.63 0.32 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.308 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 . . . . . 0 CA--C 1.539 0.545 0 CA-C-O 118.36 -0.829 . . . . 0.0 109.837 179.714 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.28 32.04 0.04 OUTLIER Glycine 0 N--CA 1.472 1.099 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 mt -69.03 121.51 16.81 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.502 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 6.7 t -89.07 -38.27 0.43 Allowed Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 123.705 0.802 . . . . 0.0 109.653 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 15' ' ' VAL . 70.5 Cg_endo -83.16 92.89 0.86 Allowed 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 121.704 1.603 . . . . 0.0 110.968 -178.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -68.12 161.63 26.5 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.348 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.33 -115.63 7.68 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t 52.57 59.62 4.37 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.172 0.51 . . . . 0.0 111.053 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.1 64.29 0.07 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.2 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -35.33 78.43 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.99 -34.35 42.15 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.657 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.7 t -63.32 -40.01 96.13 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.655 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -62.64 -42.91 99.86 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.34 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -63.76 -44.54 93.17 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.089 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -67.04 -31.78 72.54 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.011 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -58.81 -51.46 69.89 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.489 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.2 mm -63.7 -45.47 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.313 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.32 -29.06 60.8 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.432 ' O ' ' NH1' ' A' ' 58' ' ' ARG . 76.0 m-20 -83.88 -32.57 25.12 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.11 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -78.98 -33.95 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.329 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -61.37 -59.14 5.73 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.092 0.245 . . . . 0.0 111.46 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.456 ' CG ' ' H ' ' A' ' 34' ' ' ALA . 5.7 pt-20 -59.79 -57.24 13.74 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 123.555 0.534 . . . . 0.0 109.911 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.768 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -44.14 -56.78 3.81 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.86 -175.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.4 tp -68.99 -59.48 3.01 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 124.471 1.107 . . . . 0.0 111.21 178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.54 -59.53 3.43 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 121.424 0.63 . . . . 0.0 110.883 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -78.27 27.21 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.315 -1.312 . . . . 0.0 109.406 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.768 ' HB1' ' O ' ' A' ' 34' ' ' ALA . . . -110.47 -56.74 2.31 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 117.846 -1.073 . . . . 0.0 111.696 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 6.45 48.33 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.748 0 O-C-N 126.031 2.082 . . . . 0.0 110.653 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.7 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.38 -51.4 67.72 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.331 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -83.96 -15.3 48.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.855 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 54.2 56.2 7.28 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.85 0.357 . . . . 0.0 110.771 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -104.12 -16.87 15.12 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.838 0.455 . . . . 0.0 110.166 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 65.29 9.53 5.73 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.718 0.636 . . . . 0.0 112.071 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.561 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -120.29 174.85 6.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.0 mt -122.89 99.67 6.51 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.937 0.773 . . . . 0.0 111.932 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -99.5 137.88 37.37 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -43.88 -47.29 8.29 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -177.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -53.48 -55.1 28.16 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.305 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.56 -51.58 68.82 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.442 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.47 ' HE1' ' CG2' ' A' ' 65' ' ' ILE . 30.6 t-105 -59.83 -60.08 4.41 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.595 0.236 . . . . 0.0 111.049 -178.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.483 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 59.3 ttp180 -53.08 -53.66 46.95 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.064 -176.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.79 -45.3 90.32 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 123.677 0.611 . . . . 0.0 112.307 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -60.41 -51.11 70.89 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.91 0.386 . . . . 0.0 110.988 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -24.22 51.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.177 -176.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 39.6 ttpt -60.64 -48.25 82.62 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 123.499 0.499 . . . . 0.0 112.096 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.5 p -62.92 -8.08 6.42 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.192 0.307 . . . . 0.0 111.413 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 30' ' ' ASP . 4.0 tpt180 -85.64 24.48 1.21 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.362 0.413 . . . . 0.0 111.647 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.14 10.23 84.09 Favored Glycine 0 N--CA 1.467 0.715 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -100.13 149.72 23.23 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.17 170.48 13.74 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.473 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.19 -36.57 54.81 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.2 -43.98 27.04 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -56.89 -42.39 79.76 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.47 ' CG2' ' HE1' ' A' ' 51' ' ' TRP . 95.7 mt -59.72 -23.52 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.624 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -64.57 -42.45 95.64 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 123.305 0.378 . . . . 0.0 110.548 -178.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.78 74.94 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.947 0.403 . . . . 0.0 111.099 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.13 -41.42 84.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.237 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -74.22 -61.44 1.86 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.297 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -40.1 -29.76 0.08 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.134 0.574 . . . . 0.0 112.032 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -56.51 -10.3 0.93 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.007 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.441 ' H ' ' C ' ' A' ' 70' ' ' ALA . 72.5 m-85 -112.17 -6.73 14.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.111 0.564 . . . . 0.0 111.787 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -89.11 59.46 4.96 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.3 m -53.46 -43.63 53.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.361 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -73.72 -14.72 61.18 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.4 23.83 70.42 Favored Glycine 0 C--N 1.348 1.197 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.9 p30 -90.23 -14.4 33.47 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 119.472 -0.299 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 72.39 5.67 5.32 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 124.067 0.854 . . . . 0.0 111.264 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.25 127.62 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.22 135.16 30.45 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.746 0.818 . . . . 0.0 108.95 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -103.04 -168.18 1.48 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.809 0.844 . . . . 0.0 109.22 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.78 -17.09 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -67.62 -61.62 1.8 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -86.5 -21.83 26.74 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.466 0.706 . . . . 0.0 111.143 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -58.88 -33.75 70.85 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.007 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 39.1 ttm -59.44 -47.78 84.16 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -58.59 -38.61 78.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.596 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.5 ttt -67.09 -57.07 7.49 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.367 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.88 -34.1 65.2 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.93 -50.96 70.05 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.29 -36.68 84.48 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.15 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.67 -27.38 65.93 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.649 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -78.05 -49.21 14.43 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.831 0.348 . . . . 0.0 110.178 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.08 -17.74 66.03 Favored Glycine 0 N--CA 1.469 0.838 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -59.61 -39.81 85.48 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.96 0.409 . . . . 0.0 110.599 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -57.54 -53.22 60.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.761 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 96.6 p -55.66 -42.91 75.75 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.409 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.31 -49.3 77.57 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.562 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.4 mt -62.86 -42.1 99.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.039 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -53.62 -50.85 64.8 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.707 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -71.02 -39.47 72.33 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.122 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.91 -52.34 63.45 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.789 0.328 . . . . 0.0 111.03 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.32 5.14 4.83 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.252 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -105.21 37.95 2.06 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -142.36 147.5 36.38 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 44.9 mt 54.76 -179.53 0.03 OUTLIER 'General case' 0 C--N 1.346 0.417 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.422 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 CA--C 1.545 0.765 0 CA-C-O 117.828 -1.082 . . . . 0.0 111.173 179.387 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 108.787 -1.725 . . . . 0.0 108.787 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.98 -90.2 0.08 OUTLIER Glycine 0 CA--C 1.521 0.42 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -76.49 111.71 12.25 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 122.196 0.998 . . . . 0.0 109.466 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.522 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 8.8 t -86.08 -40.07 0.58 Allowed Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 114.172 -1.377 . . . . 0.0 108.82 177.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 15' ' ' VAL . 77.2 Cg_exo -53.59 -29.72 51.64 Favored 'Trans proline' 0 N--CA 1.512 2.585 0 C-N-CA 121.855 1.703 . . . . 0.0 112.186 -178.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -59.93 -45.48 92.46 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.601 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.15 -84.27 0.14 Allowed Glycine 0 N--CA 1.465 0.608 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.9 m -162.15 140.09 8.75 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -166.82 -54.84 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 68.0 mtt -65.17 -32.4 74.07 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.289 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.23 -32.02 46.19 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.39 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.2 t -66.03 -43.35 87.86 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.701 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -65.27 -41.91 93.72 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.774 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.466 HH12 ' CD1' ' A' ' 106' ' ' LEU . 78.1 ttt180 -64.08 -44.73 91.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.032 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -68.22 -25.83 65.4 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.966 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -61.14 -48.7 80.4 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.854 -179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.21 -45.49 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.933 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.75 -53.95 51.83 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.89 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -57.51 -31.57 66.16 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.3 mt -82.38 -31.67 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.835 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -62.32 -58.65 6.92 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.949 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -63.49 -57.29 10.69 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.46 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.725 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.2 -56.24 3.55 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 119.101 -0.475 . . . . 0.0 110.452 -175.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.6 tp -68.47 -58.99 3.5 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 123.775 0.672 . . . . 0.0 111.021 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -47.92 -58.86 3.85 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.357 0.599 . . . . 0.0 111.015 -176.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -76.68 24.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.601 -1.182 . . . . 0.0 110.048 179.109 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -112.83 -55.5 2.52 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.263 178.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' ALA . 65.8 m-20 15.29 49.86 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 124.903 1.377 . . . . 0.0 109.909 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -56.47 -52.82 63.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.957 -174.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -73.23 -13.93 61.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.27 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 44.85 55.3 6.13 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.052 0.453 . . . . 0.0 110.628 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -119.71 -4.32 10.25 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.004 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 66.7 8.21 5.75 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.622 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -121.08 170.66 9.32 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tp -124.82 101.77 7.24 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 124.076 0.86 . . . . 0.0 111.118 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -98.26 136.83 37.89 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -40.76 -45.96 2.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.725 0.64 . . . . 0.0 112.194 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -53.78 -55.11 29.32 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.714 0.634 . . . . 0.0 110.974 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -58.58 -53.29 60.0 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.875 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.487 ' HE1' ' CG2' ' A' ' 65' ' ' ILE . 26.0 t-105 -58.85 -59.68 5.05 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.869 0.366 . . . . 0.0 110.671 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.499 ' NH1' HE21 ' A' ' 53' ' ' GLN . 43.2 ttt-85 -49.08 -55.32 12.54 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.849 -177.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.499 HE21 ' NH1' ' A' ' 52' ' ' ARG . 46.8 mm-40 -64.41 -42.59 95.97 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.965 0.791 . . . . 0.0 111.59 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -60.18 -55.18 36.98 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.09 -176.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -27.75 64.23 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.778 -175.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -58.34 -50.53 73.31 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.1 p -55.74 -11.55 1.0 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.008 0.432 . . . . 0.0 112.135 -176.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -84.45 23.15 1.15 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.236 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.2 24.3 61.65 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.749 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -107.59 154.69 21.05 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.1 171.19 9.43 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.445 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 29.6 t0 -76.23 -32.16 58.76 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.023 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.03 -44.07 27.56 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.879 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.92 -36.98 78.18 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.162 0.506 . . . . 0.0 110.823 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.487 ' CG2' ' HE1' ' A' ' 51' ' ' TRP . 97.5 mt -71.97 -38.41 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.326 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -55.3 -39.83 70.36 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.693 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.45 -46.3 89.14 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.773 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.8 t -61.84 -50.99 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.703 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -62.45 -54.71 36.11 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 123.272 0.357 . . . . 0.0 110.078 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.491 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -40.94 -43.12 2.02 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.277 0.56 . . . . 0.0 110.352 -178.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -49.69 -12.44 0.07 Allowed 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.491 ' H ' ' C ' ' A' ' 70' ' ' ALA . 98.8 m-85 -115.86 -0.1 12.97 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.627 0.771 . . . . 0.0 111.717 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -84.79 57.7 4.54 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.553 0.216 . . . . 0.0 110.576 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.2 m -46.54 -47.29 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.3 p30 -115.17 -16.0 11.6 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.68 35.89 76.08 Favored Glycine 0 C--N 1.341 0.817 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -69.21 -1.29 7.57 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 72.53 26.4 2.53 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.283 0.633 . . . . 0.0 111.542 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.7 p -147.04 118.97 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.81 140.67 47.82 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.96 151.66 31.49 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.57 85.62 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.357 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -74.1 -32.91 63.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.318 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -56.56 -38.46 71.96 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -59.78 -41.85 92.03 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.686 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.8 ttt -59.99 -50.97 71.66 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.84 -43.39 81.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.948 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 91' ' ' ASP . 35.6 ttm -58.45 -62.44 1.85 Allowed 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.96 -44.68 7.35 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.196 0.522 . . . . 0.0 111.202 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -65.31 -36.47 84.15 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.809 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' MET . 22.1 t70 -61.06 -49.2 78.32 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.077 0.465 . . . . 0.0 110.243 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mp -53.22 -57.92 8.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.513 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.62 -48.91 68.0 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.271 0.557 . . . . 0.0 109.938 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -47.3 -40.08 14.49 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.895 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -82.71 -35.08 27.03 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.617 0.367 . . . . 0.0 110.08 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.93 -40.8 73.66 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.939 0.4 . . . . 0.0 110.163 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.0 t -62.01 -41.7 98.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.666 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.83 -43.19 98.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.408 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mp -67.66 -43.07 81.12 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.757 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -53.2 -47.34 69.0 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.565 0.221 . . . . 0.0 110.595 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.508 ' H ' HD21 ' A' ' 101' ' ' ASN . 1.6 m-80 -69.37 -50.9 41.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.717 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -53.12 -47.46 68.64 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.221 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 tt -58.26 -63.63 1.2 Allowed 'General case' 0 C--N 1.347 0.494 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 83.24 -166.67 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.711 0.632 . . . . 0.0 109.606 -179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 44.46 70.58 0.32 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.82 0.7 . . . . 0.0 110.617 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.466 ' CD1' HH12 ' A' ' 25' ' ' ARG . 3.1 tp -139.47 4.82 2.2 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.776 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 . . . . . 0 CA--C 1.542 0.664 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.064 179.719 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.69 -82.19 0.06 OUTLIER Glycine 0 N--CA 1.466 0.676 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 tp 54.92 88.22 0.04 OUTLIER 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.717 -0.241 . . . . 0.0 110.436 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.9 t -140.21 77.11 25.48 Favored Pre-proline 0 N--CA 1.467 0.381 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.23 -37.51 70.35 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.242 1.962 . . . . 0.0 111.971 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -64.42 -24.82 67.76 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.564 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.58 -132.96 0.07 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.2 m 51.42 44.66 28.84 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.092 0.472 . . . . 0.0 110.665 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -60.67 -36.33 78.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.531 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.2 mmt -61.81 -61.36 2.56 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.587 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.64 75.65 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.729 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.7 p -55.9 -41.81 75.07 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.059 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -57.39 -45.78 84.13 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.355 0.597 . . . . 0.0 110.677 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -64.98 -38.91 92.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.316 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.4 -40.11 95.43 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.276 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -60.42 -49.52 77.26 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.687 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.9 -49.41 84.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.58 -33.97 64.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -85.52 -33.95 21.66 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.122 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.0 mt -80.67 -39.15 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.09 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.68 -56.38 22.53 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.111 -177.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -62.4 -56.6 16.73 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.755 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -44.59 -53.72 6.84 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.037 -176.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.77 -59.08 3.17 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.189 0.931 . . . . 0.0 111.299 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -48.35 -57.59 5.81 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.586 0.707 . . . . 0.0 110.229 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.406 ' ND1' ' O ' ' A' ' 37' ' ' HIS . 0.7 OUTLIER -76.26 25.47 0.13 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.085 178.103 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.755 ' HB1' ' O ' ' A' ' 34' ' ' ALA . . . -112.95 -55.45 2.52 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.767 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' ALA . 17.2 p-10 6.16 49.5 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 O-C-N 125.601 1.813 . . . . 0.0 110.557 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.68 -52.0 66.98 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.433 -174.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -83.74 -15.09 49.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.536 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 56.9 55.16 6.4 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.014 0.435 . . . . 0.0 110.868 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.406 ' CG ' ' ND1' ' A' ' 45' ' ' HIS . 2.0 p30 -104.23 -20.31 13.83 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.778 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 66.98 8.98 6.53 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.183 0.302 . . . . 0.0 111.03 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.406 ' ND1' ' CG ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -121.73 171.67 8.7 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.4 mt -126.52 104.28 8.05 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.207 0.942 . . . . 0.0 112.377 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -102.82 142.16 34.41 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.17 -48.59 4.84 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -50.75 -56.12 13.5 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.903 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -52.27 62.87 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.013 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -58.41 -60.35 3.93 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.434 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 3.7 tmt_? -53.3 -51.7 61.47 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.609 -178.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.47 -45.31 87.95 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -59.33 -52.44 65.62 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.692 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.01 -24.69 55.28 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.571 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.3 tttm -59.14 -48.22 82.41 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.614 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.39 -8.96 10.23 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.206 -177.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -81.65 23.93 0.62 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.03 10.95 82.11 Favored Glycine 0 N--CA 1.467 0.718 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.454 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -99.06 148.25 24.23 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.71 173.6 11.76 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -77.95 -41.06 37.48 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.096 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.73 -46.24 19.4 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -54.22 -45.26 72.22 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.097 0.475 . . . . 0.0 112.023 -176.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.4 tt -63.96 -22.51 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.468 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.9 -41.84 78.81 Favored 'General case' 0 C--O 1.222 -0.372 0 O-C-N 123.354 0.409 . . . . 0.0 110.809 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.35 -39.67 81.79 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.784 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.07 -45.08 80.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.178 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -72.91 -61.22 1.89 Allowed 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.239 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.433 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -40.18 -29.18 0.07 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.76 0.424 . . . . 0.0 111.651 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -55.87 -10.89 0.85 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.872 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.433 ' H ' ' C ' ' A' ' 70' ' ' ALA . 69.0 m-85 -109.18 -5.07 16.08 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.669 -179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.55 56.63 1.55 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.6 m -54.44 -43.94 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.427 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -76.24 -14.67 60.13 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.979 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.43 9.32 42.94 Favored Glycine 0 C--N 1.343 0.952 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -75.52 -5.64 46.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 119.129 -0.462 . . . . 0.0 110.464 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 60.73 27.14 16.9 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.651 0.595 . . . . 0.0 111.638 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.23 121.07 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 120.985 0.422 . . . . 0.0 110.197 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -139.98 109.66 6.32 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.126 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 83' ' ' GLU . 44.5 m-20 -99.23 -167.62 1.5 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.71 -16.84 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.129 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 81' ' ' ASP . 85.6 mt-10 -65.85 -60.68 2.63 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.076 -179.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -85.24 -21.93 28.87 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -56.27 -33.42 65.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 41.0 ttp -59.84 -46.5 89.05 Favored 'General case' 0 C--N 1.343 0.297 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -53.93 -43.0 69.43 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.484 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttp -65.12 -58.28 6.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.77 81.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.428 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -62.22 -36.47 82.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.736 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -86.56 -38.33 17.28 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.977 0.417 . . . . 0.0 110.158 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.07 -44.81 96.82 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.715 -176.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.52 -37.81 85.08 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.673 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.46 -45.53 77.61 Favored Glycine 0 C--N 1.343 0.919 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -54.8 -41.17 70.27 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -59.83 -49.64 76.91 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 m -63.92 -42.2 97.46 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -62.9 -38.47 91.07 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.593 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.09 -41.61 81.59 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -56.84 -43.55 81.21 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.739 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -71.22 -49.33 44.59 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.394 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -48.69 -42.26 34.28 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.195 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.7 tp -99.85 -2.78 34.05 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.642 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 52.69 -176.47 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.0 0.428 . . . . 0.0 110.497 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -66.63 -91.88 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.404 ' CG ' ' H ' ' A' ' 107' ' ' GLU . 3.0 tp 56.89 -140.41 0.85 Allowed 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.031 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.404 ' H ' ' CG ' ' A' ' 106' ' ' LEU . 44.2 tt0 . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 118.149 -0.929 . . . . 0.0 109.536 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.134 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.02 -66.6 2.38 Favored Glycine 0 N--CA 1.465 0.625 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.2 mt 53.54 57.32 6.25 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.178 0.513 . . . . 0.0 111.207 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.9 p -164.46 55.61 0.44 Allowed Pre-proline 0 CA--C 1.549 0.904 0 CA-C-O 122.522 1.153 . . . . 0.0 109.756 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -70.28 -16.65 35.43 Favored 'Trans proline' 0 C--N 1.296 -2.215 0 C-N-CA 121.403 1.402 . . . . 0.0 111.877 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -67.38 171.73 5.66 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.19 106.6 0.06 OUTLIER Glycine 0 N--CA 1.461 0.36 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.1 m 53.05 40.75 31.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.21 0.529 . . . . 0.0 110.8 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -64.7 -36.42 84.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.357 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -58.93 -33.68 70.86 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.323 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.46 -40.43 37.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.366 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t -55.06 -41.13 71.09 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.676 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -63.53 -39.15 93.67 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.259 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 16.0 mmp_? -66.0 -40.63 91.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.913 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.66 -45.41 65.14 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.775 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -52.83 -56.9 12.41 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.482 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.9 -51.7 64.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.376 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.71 -30.77 61.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.402 0.439 . . . . 0.0 110.012 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -86.36 -32.51 20.94 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.2 mt -84.57 -38.43 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 O-C-N 123.63 0.581 . . . . 0.0 111.395 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -54.04 -57.5 10.8 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.753 0.658 . . . . 0.0 110.992 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.68 -54.69 35.51 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.762 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.797 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -40.18 -58.68 1.42 Allowed 'General case' 0 C--O 1.196 -1.734 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.943 -176.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.1 tp -67.72 -60.72 2.31 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 123.902 0.751 . . . . 0.0 111.958 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -46.06 -56.18 5.93 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 122.168 0.985 . . . . 0.0 109.31 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -78.09 27.55 0.19 Allowed 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.915 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.797 ' HB3' ' O ' ' A' ' 34' ' ' ALA . . . -117.46 -55.42 2.31 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-O 117.848 -1.072 . . . . 0.0 111.797 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.525 ' C ' ' O ' ' A' ' 38' ' ' ALA . 68.3 m-20 4.91 52.93 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 124.904 1.378 . . . . 0.0 110.916 -176.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.742 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.46 -52.41 65.71 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.158 -175.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -78.2 -14.94 59.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.212 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 50.62 56.33 8.13 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 123.706 0.629 . . . . 0.0 110.986 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -106.5 -11.02 16.04 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.163 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 65.86 6.26 3.88 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.26 0.35 . . . . 0.0 111.178 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -121.43 134.4 55.09 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.0 mp -86.98 107.93 18.61 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.452 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -103.95 135.56 45.24 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 125.171 1.544 . . . . 0.0 107.697 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 43.8 t80 -38.81 -47.35 1.39 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -45.38 -57.94 3.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 123.65 0.594 . . . . 0.0 112.026 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -54.0 -46.12 71.68 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.391 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -70.94 -19.76 62.53 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' PHE . 18.2 ttm180 -81.69 -63.24 1.43 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -70.15 -38.57 75.51 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -176.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -57.86 -55.4 35.41 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 124.078 0.861 . . . . 0.0 112.819 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.93 -32.64 67.53 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.605 -177.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -54.47 -47.28 73.14 Favored 'General case' 0 C--N 1.312 -1.03 0 O-C-N 123.687 0.617 . . . . 0.0 112.089 -176.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 75.5 m -63.32 -10.25 15.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.135 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.98 22.03 1.48 Allowed 'General case' 0 C--O 1.243 0.717 0 O-C-N 123.749 0.656 . . . . 0.0 111.375 -179.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.86 8.25 84.54 Favored Glycine 0 N--CA 1.461 0.327 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -101.01 152.45 20.56 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.16 173.86 9.53 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.792 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.38 -32.97 49.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.259 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.7 -44.92 22.45 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.32 -42.88 78.36 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.1 pt -63.51 -21.7 29.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.696 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.18 -40.91 82.15 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.667 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.46 69.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.586 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.17 -28.78 42.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -81.12 -63.03 1.49 Allowed 'General case' 0 CA--C 1.504 -0.792 0 O-C-N 123.496 0.498 . . . . 0.0 110.23 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.492 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -39.06 -32.59 0.1 Allowed 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -176.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -52.95 -11.03 0.2 Allowed 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' A' ' 70' ' ' ALA . 57.2 m-85 -109.03 -8.33 15.21 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 124.188 0.93 . . . . 0.0 112.095 -178.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -89.72 59.44 4.66 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.0 p -52.9 -46.24 52.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.264 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -80.36 -14.77 58.07 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.99 12.11 70.92 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -81.19 -15.08 56.78 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.304 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 67.64 31.48 6.04 Favored 'General case' 0 C--O 1.243 0.727 0 O-C-N 124.33 1.019 . . . . 0.0 112.042 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -137.01 119.11 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mp -134.62 102.82 5.43 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 123.828 0.705 . . . . 0.0 111.537 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.534 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 26.2 t70 -100.51 -167.46 1.44 Allowed 'General case' 0 CA--C 1.507 -0.698 0 O-C-N 124.074 0.859 . . . . 0.0 108.993 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.534 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -44.91 -18.42 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 O-C-N 123.146 0.279 . . . . 0.0 111.427 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' A' ' 81' ' ' ASP . 0.8 OUTLIER -68.27 -62.49 1.37 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.024 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -87.32 -23.02 24.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.47 0.481 . . . . 0.0 111.119 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.87 -42.44 99.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.97 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.9 mmt -56.28 -45.59 80.07 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.156 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.12 -39.09 85.05 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.623 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.1 ttp -66.25 -59.39 3.78 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.09 -32.35 54.61 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.817 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -64.3 -45.8 86.37 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.376 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -65.85 -35.24 80.12 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.704 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.18 -33.35 74.29 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.676 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -73.13 -44.16 60.59 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 124.044 0.84 . . . . 0.0 110.506 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.77 -50.21 43.65 Favored Glycine 0 N--CA 1.465 0.594 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -54.44 -38.11 65.93 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.644 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -64.16 -42.76 96.61 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.6 m -67.0 -32.15 73.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.107 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -64.78 -18.8 65.4 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.745 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.99 -38.51 91.45 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.011 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -55.42 -52.47 63.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.731 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -69.87 -43.91 70.86 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -61.13 -52.32 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.96 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.96 0.19 48.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.879 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 39.7 -114.46 0.17 Allowed 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.663 0.602 . . . . 0.0 110.374 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -129.3 -70.47 0.66 Allowed 'General case' 0 CA--C 1.502 -0.878 0 O-C-N 123.658 0.599 . . . . 0.0 110.791 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 54.67 178.95 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.758 0 O-C-N 123.311 0.382 . . . . 0.0 111.538 -178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 . . . . . 0 C--O 1.215 -0.76 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.479 179.331 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.97 97.48 0.11 Allowed Glycine 0 N--CA 1.467 0.705 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tp -162.97 -14.8 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 120.794 0.33 . . . . 0.0 110.233 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.5 m -53.41 151.01 10.92 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.873 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -49.74 -175.95 0.01 OUTLIER 'Trans proline' 0 N--CA 1.506 2.252 0 C-N-CA 121.886 1.724 . . . . 0.0 111.699 176.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.85 -13.47 10.8 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.76 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.09 62.37 3.79 Favored Glycine 0 N--CA 1.467 0.705 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.1 m -161.67 -26.53 0.05 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -64.07 -21.55 66.57 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.431 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 62.7 mtt -60.88 -34.25 74.34 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.014 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.85 -37.6 14.29 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.952 0.406 . . . . 0.0 110.448 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.475 ' HG ' ' N ' ' A' ' 24' ' ' LYS . 91.3 p -59.82 -41.73 91.94 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.385 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.475 ' N ' ' HG ' ' A' ' 23' ' ' SER . 96.8 mttt -61.72 -41.01 97.06 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.991 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -60.95 -48.66 80.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.936 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -34.92 76.84 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.223 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -53.68 -58.24 7.92 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.353 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.1 -44.73 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.167 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.87 -32.45 53.22 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.861 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -84.62 -38.62 19.65 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.648 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.2 -41.09 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.035 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -59.4 -59.59 5.2 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.894 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.62 -57.6 12.03 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.394 0.434 . . . . 0.0 110.468 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.708 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.4 -60.05 1.88 Allowed 'General case' 0 C--O 1.209 -1.053 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.279 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 38.3 tp -67.2 -59.59 3.31 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.16 0.913 . . . . 0.0 111.565 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.401 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -49.24 -58.27 5.32 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.705 0.764 . . . . 0.0 109.771 -175.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -76.15 23.44 0.14 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.506 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.754 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -106.88 -56.8 2.15 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.835 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 7.68 43.71 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.601 0 O-C-N 125.62 1.825 . . . . 0.0 111.175 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.754 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.78 -52.97 61.13 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.519 -174.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -82.72 -16.94 46.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.915 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 46.98 57.88 5.28 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.622 0.249 . . . . 0.0 111.178 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -106.0 -9.26 17.14 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.657 0.383 . . . . 0.0 110.702 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 64.06 5.34 2.38 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.868 0.867 . . . . 0.0 111.287 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -127.03 137.02 52.99 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -115.68 84.05 2.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.584 0.707 . . . . 0.0 111.495 -178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.18 156.89 23.91 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -46.4 -43.47 16.35 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 123.738 0.649 . . . . 0.0 112.195 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -54.06 -55.52 26.69 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.847 0.356 . . . . 0.0 111.254 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -57.26 -47.75 80.62 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.26 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -60.8 -56.93 15.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.149 0.5 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -50.78 -53.87 28.26 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.547 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.93 -42.21 94.88 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 123.794 0.684 . . . . 0.0 112.304 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.92 -56.06 25.6 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.221 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mp -72.31 -27.93 62.76 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.468 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.74 -49.53 70.59 Favored 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.856 -0.528 . . . . 0.0 112.285 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.543 ' C ' ' HE ' ' A' ' 58' ' ' ARG . 49.2 t -58.38 -8.59 1.22 Allowed 'General case' 0 CA--C 1.538 0.484 0 O-C-N 123.598 0.561 . . . . 0.0 112.119 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.543 ' HE ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -87.41 15.95 5.95 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 110.189 -0.301 . . . . 0.0 110.189 -179.302 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.12 15.99 73.21 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -101.92 145.48 29.18 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.17 159.63 15.2 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -68.53 -22.61 64.5 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.193 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.03 -47.44 28.99 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.401 0.62 . . . . 0.0 110.66 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -69.51 -24.98 63.83 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.197 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.2 tp -51.63 -25.42 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-O 121.555 0.693 . . . . 0.0 111.696 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -65.2 -29.81 70.65 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.918 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.46 -54.34 17.6 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.66 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.8 m -65.47 -23.95 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.558 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -65.56 0.66 Allowed 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.971 0.415 . . . . 0.0 110.868 -177.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.74 -17.01 1.95 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.49 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -53.47 -57.38 10.87 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.285 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' VAL . 70.7 m-85 -102.83 -42.85 5.72 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.98 66.68 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.083 0.865 . . . . 0.0 110.762 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' TYR . 7.2 p -71.79 -10.55 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.381 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -70.03 -14.34 62.64 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.0 3.44 6.14 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -86.18 -0.63 56.16 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.682 0.393 . . . . 0.0 110.167 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 56.48 19.04 3.85 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.64 0.587 . . . . 0.0 110.455 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.03 150.48 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 122.004 0.907 . . . . 0.0 109.43 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.52 140.89 33.57 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -81.13 -172.99 4.05 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.207 0.527 . . . . 0.0 110.114 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.01 -35.9 74.04 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.926 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -71.55 -57.58 4.28 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.047 -178.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -51.18 -29.34 13.58 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -66.84 -45.71 77.36 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.61 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 39.8 ttm -52.69 -45.98 67.09 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.728 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.34 -36.0 82.71 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.337 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.1 ttt -60.5 -59.66 5.05 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.062 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.98 -39.09 65.72 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.811 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -60.31 -48.56 81.23 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.989 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -59.94 -35.2 74.42 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.842 0.353 . . . . 0.0 110.959 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.7 -41.85 82.92 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.585 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.72 -40.11 93.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.43 -49.81 48.64 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -45.59 -37.57 5.67 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.375 0.607 . . . . 0.0 110.451 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -60.42 -44.62 95.58 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.286 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.9 t -62.59 -40.81 98.07 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.412 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -64.73 -38.63 91.66 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.46 -42.86 91.86 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -50.24 -38.26 39.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -68.84 -47.98 64.64 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.651 178.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -52.37 -46.61 66.24 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 120.903 0.382 . . . . 0.0 110.285 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.68 -0.67 16.2 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.721 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 51.65 -133.83 1.72 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -119.33 -65.65 1.15 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.3 tp 67.9 148.77 0.06 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.147 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 . . . . . 0 N--CA 1.47 0.572 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.839 179.265 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.65 9.69 27.04 Favored Glycine 0 N--CA 1.468 0.818 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.4 mt 52.59 29.5 7.32 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.336 0.589 . . . . 0.0 111.238 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.538 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 17.7 t -77.73 -39.71 1.96 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.04 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 15' ' ' VAL . 66.1 Cg_exo -54.73 -31.07 69.88 Favored 'Trans proline' 0 N--CA 1.501 1.938 0 C-N-CA 121.905 1.737 . . . . 0.0 112.057 -178.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -61.69 -37.43 84.1 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.306 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.86 -171.28 0.24 Allowed Glycine 0 C--N 1.339 0.72 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.6 p -160.03 158.72 31.02 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.42 ' ND1' ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -101.22 99.17 9.52 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.064 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 55.1 mtt -67.09 -31.33 71.75 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.177 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -52.52 65.31 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.539 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.3 p -65.4 -43.96 88.99 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.299 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -61.22 -44.15 97.73 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.978 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -69.85 -45.18 68.35 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.231 0.539 . . . . 0.0 109.921 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.47 -16.32 64.15 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.438 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -54.19 -27.91 37.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.324 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.04 -24.49 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.805 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.93 -33.24 23.54 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.376 0.422 . . . . 0.0 110.98 -178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -85.11 -33.4 22.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.8 mt -72.01 -40.85 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.777 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -56.12 -58.57 7.36 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.67 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -60.32 -54.16 49.05 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.964 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.759 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -43.03 -60.37 1.66 Allowed 'General case' 0 C--O 1.203 -1.393 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.077 -174.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.1 tp -66.94 -58.17 5.49 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.947 0.779 . . . . 0.0 111.962 178.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.19 -59.05 3.43 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.355 0.598 . . . . 0.0 110.187 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -79.94 22.97 0.47 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.613 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 34' ' ' ALA . . . -104.11 -53.8 2.67 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 118.944 -0.551 . . . . 0.0 111.254 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -37.0 68.06 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 125.001 1.438 . . . . 0.0 112.314 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.723 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -82.88 -29.92 28.96 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.084 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -92.74 -17.23 24.46 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 123.859 0.724 . . . . 0.0 111.726 -176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 61.97 55.69 2.49 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.404 ' C ' ' H ' ' A' ' 45' ' ' HIS . 70.4 m-20 -91.16 -23.89 20.12 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 61.72 4.42 1.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.437 1.095 . . . . 0.0 112.046 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.404 ' H ' ' C ' ' A' ' 43' ' ' ASP . 8.5 t-80 -129.41 134.58 47.92 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 178.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -113.82 104.33 12.08 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 124.214 0.946 . . . . 0.0 110.762 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -79.77 158.01 26.96 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 176.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -48.98 -44.21 40.75 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -52.61 -55.74 20.25 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.191 0.519 . . . . 0.0 111.209 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -54.41 -43.19 71.27 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.279 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.8 t-105 -63.4 -55.42 24.54 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.816 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.516 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 53.4 ttp180 -50.32 -52.88 32.98 Favored 'General case' 0 C--O 1.203 -1.392 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.964 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -65.23 -42.83 93.03 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.88 -54.68 43.28 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.913 -178.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.45 -31.94 64.08 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.621 -177.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 40.6 ttpt -53.34 -46.09 69.35 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -177.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.7 t -59.24 -6.64 0.98 Allowed 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 56' ' ' LYS . 7.5 mpt_? -95.02 9.49 39.26 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.862 0.465 . . . . 0.0 111.018 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.35 -18.69 56.44 Favored Glycine 0 N--CA 1.468 0.827 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 2.0 m80 -64.44 136.02 56.67 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.42 159.68 15.14 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -56.79 -21.81 31.46 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.71 -44.8 20.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.463 -0.789 . . . . 0.0 113.066 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -66.21 -37.83 86.5 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.8 pt -59.02 -23.79 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.554 0.216 . . . . 0.0 111.397 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -59.13 -20.93 58.03 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.897 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.66 -39.92 23.65 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.019 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.82 -26.64 40.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.017 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -61.2 -65.38 0.7 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.394 0.616 . . . . 0.0 110.644 -178.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.41 -17.98 0.91 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.453 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.47 -57.62 10.62 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.212 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' VAL . 78.9 m-85 -111.49 -41.36 4.12 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.77 62.36 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.374 1.046 . . . . 0.0 110.281 -177.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' TYR . 65.6 t -74.2 -12.88 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.423 ' C ' ' H ' ' A' ' 77' ' ' ASP . 65.3 m-20 -70.15 -13.57 62.26 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.37 2.62 4.38 Favored Glycine 0 C--N 1.345 1.062 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 75' ' ' ASP . 26.9 t0 -80.05 -3.18 47.46 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.938 0.399 . . . . 0.0 110.274 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 58.52 19.31 6.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.176 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.2 t -147.19 153.62 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.05 141.11 32.76 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.662 -1.153 . . . . 0.0 107.935 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -85.12 -172.58 4.25 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.485 0.659 . . . . 0.0 110.42 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.55 78.02 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.75 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.35 -54.11 19.55 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.332 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -56.09 -27.99 55.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.892 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -68.87 -47.14 66.64 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.762 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.7 tpt -53.29 -44.14 68.06 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.086 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -69.26 -36.26 76.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.563 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.96 -62.27 1.98 Allowed 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.917 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.9 -46.06 60.5 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.736 0.647 . . . . 0.0 111.532 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -41.55 82.04 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.688 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.21 -31.69 67.58 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.448 0.642 . . . . 0.0 110.947 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.95 -37.33 75.82 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.684 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -63.35 -41.62 98.86 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.992 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.68 -26.74 70.73 Favored Glycine 0 C--N 1.338 0.655 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -68.01 -42.52 80.57 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.059 0.456 . . . . 0.0 110.807 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.46 -40.71 96.23 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.357 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.6 p -59.8 -44.88 93.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.29 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.75 -38.1 89.83 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.072 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.59 -48.5 77.12 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.429 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -56.75 -39.64 74.33 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.637 0.586 . . . . 0.0 110.307 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -67.97 -59.24 3.42 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.727 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -54.45 -41.57 69.6 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.235 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.5 mt -149.5 154.62 39.06 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 120.973 0.416 . . . . 0.0 110.024 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.33 -40.7 0.81 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.59 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 51.16 48.06 23.73 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -155.8 48.02 0.5 Allowed 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.686 0.755 . . . . 0.0 111.179 -178.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 . . . . . 0 CA--C 1.542 0.667 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.154 179.016 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.04 145.67 7.11 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.6 mt 54.35 -166.33 0.09 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.688 0.28 . . . . 0.0 110.26 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.2 t 54.89 73.82 0.83 Allowed Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.35 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -54.64 168.0 1.25 Allowed 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.02 1.814 . . . . 0.0 110.794 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 53.24 84.86 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.004 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.27 -81.12 0.09 OUTLIER Glycine 0 CA--C 1.507 -0.446 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.7 t 51.6 -172.2 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -95.97 -45.41 6.94 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.5 mmt -64.65 -61.01 2.46 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.384 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.83 -44.63 78.12 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.488 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.2 t -58.15 -43.12 87.19 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.698 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.34 -41.94 94.64 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.42 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.56 ' HE ' ' HZ2' ' A' ' 96' ' ' LYS . 79.8 ttt180 -67.15 -40.08 86.62 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.147 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -59.1 -37.82 78.05 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.612 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -59.23 -48.29 82.16 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.0 mt -56.72 -52.19 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.78 76.71 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.928 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -65.84 -30.95 71.65 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.287 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.4 mt -83.62 -33.86 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.071 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -57.24 -58.41 8.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.69 -55.55 29.17 Favored 'General case' 0 CA--C 1.513 -0.447 0 O-C-N 123.766 0.666 . . . . 0.0 110.566 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.694 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . -43.97 -59.7 2.17 Favored 'General case' 0 C--O 1.201 -1.481 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.887 -175.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.4 tp -67.09 -59.49 3.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.572 0.545 . . . . 0.0 111.402 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.06 -57.12 7.11 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 121.711 0.767 . . . . 0.0 110.496 -175.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -77.55 25.22 0.19 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.94 -1.482 . . . . 0.0 110.157 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 34' ' ' ALA . . . -115.25 -55.63 2.44 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.363 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER 10.01 52.66 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.534 0 O-C-N 125.471 1.732 . . . . 0.0 109.877 -177.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.599 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.68 -51.81 68.19 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.844 -174.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -77.39 -14.85 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.308 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.9 55.0 9.17 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.829 0.347 . . . . 0.0 110.576 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -110.11 -7.53 14.9 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.785 0.434 . . . . 0.0 110.314 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 62.42 7.57 2.41 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.738 0.649 . . . . 0.0 111.129 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -120.42 134.31 55.29 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.5 tp -87.77 103.87 16.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 123.933 0.77 . . . . 0.0 111.484 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.54 139.35 37.32 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' ARG . 27.5 t80 -42.46 -46.05 4.62 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 123.943 0.777 . . . . 0.0 112.591 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -48.0 -55.63 9.61 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.074 0.464 . . . . 0.0 111.395 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -57.37 -50.15 73.9 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.776 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -67.87 -21.35 65.17 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.073 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 48' ' ' PHE . 61.9 ttt-85 -81.28 -62.43 1.66 Allowed 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -71.32 -37.63 71.74 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.631 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -60.89 -54.0 50.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.393 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mp -75.67 -27.78 58.44 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -57.33 -48.18 79.64 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.807 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.02 -8.43 3.25 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.158 0.286 . . . . 0.0 111.428 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.02 21.91 1.85 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.445 -178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.04 12.31 79.69 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -99.94 147.74 25.24 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.3 159.41 21.91 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -70.72 -35.3 72.64 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.188 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.42 -43.87 26.24 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.981 0.419 . . . . 0.0 111.255 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.16 -36.6 77.91 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.289 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.7 tp -58.27 -23.73 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.663 -178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -67.52 -39.22 85.09 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.107 -176.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.8 63.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.814 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.54 -33.65 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -78.24 -61.32 2.04 Favored 'General case' 0 C--O 1.225 -0.224 0 O-C-N 123.118 0.261 . . . . 0.0 110.522 -177.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.77 -32.05 0.13 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.181 0.592 . . . . 0.0 111.906 -175.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -57.17 -11.23 1.54 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.805 0.842 . . . . 0.0 112.002 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -110.95 -7.04 14.59 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.039 0.536 . . . . 0.0 111.287 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -93.53 58.66 2.79 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.36 -45.6 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.244 -178.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -72.41 -14.45 61.7 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.772 -177.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.51 4.42 57.21 Favored Glycine 0 C--N 1.342 0.883 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -77.33 -16.8 58.75 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.371 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 69.02 25.23 5.96 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 124.484 1.115 . . . . 0.0 111.597 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.7 t -133.68 121.49 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.3 mt -135.71 101.92 4.92 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.616 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.485 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 48.3 t0 -97.32 -168.96 1.77 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.485 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -46.88 -16.47 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.579 0.752 . . . . 0.0 112.417 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' H ' ' C ' ' A' ' 81' ' ' ASP . 91.3 mt-10 -66.41 -60.11 3.06 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.654 0.596 . . . . 0.0 110.976 -179.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -86.72 -21.53 26.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.71 0.804 . . . . 0.0 111.519 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -58.55 -39.49 80.39 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.675 -177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.408 ' HG3' ' H ' ' A' ' 87' ' ' LYS . 7.1 ptp -57.77 -48.64 79.08 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.717 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.408 ' H ' ' HG3' ' A' ' 86' ' ' MET . 88.1 tttt -58.74 -43.04 90.11 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.663 -178.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -64.57 -59.49 4.23 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.325 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.44 -40.0 17.03 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.857 0.361 . . . . 0.0 111.652 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -73.14 -31.44 64.28 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.271 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.11 -42.67 98.95 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.432 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.14 -57.8 7.78 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.512 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.08 -44.76 79.26 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.57 -48.65 42.16 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -70.56 -34.99 72.85 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.56 ' HZ2' ' HE ' ' A' ' 25' ' ' ARG . 56.2 tttp -56.08 -40.48 73.68 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.74 0.305 . . . . 0.0 110.797 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.1 m -60.79 -43.73 97.73 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.588 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -62.26 -49.41 75.8 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.356 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.69 -42.66 73.8 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.357 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -57.3 -48.15 79.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.63 0.252 . . . . 0.0 110.543 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -67.39 -56.87 7.91 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -50.34 -39.37 46.06 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.408 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.51 -65.46 0.61 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.258 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 87.46 -174.45 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 O-C-N 124.554 1.159 . . . . 0.0 109.628 -178.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 46.47 68.32 0.63 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 48.9 mt -97.68 17.0 18.88 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.621 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.45 179.734 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.18 156.98 21.48 Favored Glycine 0 N--CA 1.467 0.717 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.7 mt -101.76 30.75 4.18 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.2 0.6 . . . . 0.0 110.748 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.539 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 12.2 t -81.67 -41.14 1.04 Allowed Pre-proline 0 C--N 1.316 -0.854 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.863 178.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 15' ' ' VAL . 93.4 Cg_endo -83.41 88.81 1.13 Allowed 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.418 2.079 . . . . 0.0 111.258 -177.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -109.96 -18.91 13.27 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.338 0.399 . . . . 0.0 110.097 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.93 53.08 36.24 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.5 t -165.05 46.68 0.09 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.034 0.445 . . . . 0.0 110.589 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -167.18 28.93 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 37.2 ttm -61.83 -35.18 77.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.494 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.63 -54.27 45.03 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.772 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -62.46 -41.64 98.9 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.333 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -60.29 -46.1 91.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.28 0.562 . . . . 0.0 110.736 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.3 mmt-85 -72.06 -22.75 61.33 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.596 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.9 -15.76 62.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.375 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -56.47 -31.78 64.35 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.851 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.3 -43.39 71.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.661 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.77 -36.54 64.98 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.882 0.373 . . . . 0.0 110.78 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -85.1 -37.09 20.67 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.729 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.7 mt -79.56 -40.42 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.3 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -54.8 -56.34 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.034 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.42 -51.92 65.62 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.05 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.804 ' O ' ' HB1' ' A' ' 38' ' ' ALA . . . -41.94 -57.29 2.46 Favored 'General case' 0 C--O 1.201 -1.482 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.098 -176.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.4 tp -68.55 -59.98 2.75 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.075 0.86 . . . . 0.0 111.524 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -47.4 -58.39 4.21 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.825 0.821 . . . . 0.0 110.262 -176.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -75.94 26.21 0.12 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.44 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.804 ' HB1' ' O ' ' A' ' 34' ' ' ALA . . . -115.08 -55.61 2.45 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-O 117.804 -1.093 . . . . 0.0 112.195 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 38' ' ' ALA . 62.5 m-20 7.36 49.84 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.201 0 O-C-N 125.526 1.766 . . . . 0.0 110.57 -177.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.713 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.19 -52.79 64.19 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.774 -174.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -80.64 -14.06 58.49 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.832 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 54.38 55.75 7.72 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.166 0.291 . . . . 0.0 110.51 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -108.47 -17.98 13.85 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 68.85 10.4 7.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.414 0.446 . . . . 0.0 110.825 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 46' ' ' LEU . 55.7 t60 -116.89 162.27 18.02 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 7.3 mp -119.09 97.52 5.72 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.111 0.882 . . . . 0.0 111.381 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -99.39 140.82 33.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -36.72 -46.94 0.63 Allowed 'General case' 0 C--O 1.207 -1.163 0 O-C-N 124.354 1.034 . . . . 0.0 112.144 -179.54 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -47.75 -56.22 7.84 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.578 0.549 . . . . 0.0 111.523 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -58.64 -52.01 67.49 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.747 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -68.07 -21.23 64.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.177 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' PHE . 59.7 ttm-85 -81.74 -62.2 1.71 Allowed 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -69.13 -38.87 79.07 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.312 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.09 -56.14 25.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.665 -177.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.32 -36.92 80.02 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.73 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -54.07 -47.32 71.79 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -175.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -61.03 -12.3 11.23 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.194 0.309 . . . . 0.0 111.353 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -84.79 24.03 1.1 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.032 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.31 12.29 76.32 Favored Glycine 0 N--CA 1.461 0.342 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -102.74 152.07 21.66 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.75 172.49 12.17 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.57 -34.58 53.64 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.331 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.92 -42.71 32.23 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.765 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -54.77 -38.88 67.77 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.664 0.269 . . . . 0.0 111.65 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.62 -24.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.12 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.07 -42.34 99.64 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 123.347 0.405 . . . . 0.0 110.56 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.07 -53.85 52.08 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.779 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.57 -48.15 90.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.677 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -67.93 -54.89 15.25 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.678 -178.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -41.12 -45.15 2.69 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.237 0.542 . . . . 0.0 111.274 -178.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -52.57 -10.78 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.77 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.476 ' H ' ' C ' ' A' ' 70' ' ' ALA . 1.8 t80 -101.34 -41.63 6.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.476 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.37 114.1 0.58 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -54.14 9.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 123.531 0.519 . . . . 0.0 110.395 -177.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -115.15 6.7 15.17 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.668 0.387 . . . . 0.0 110.49 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.51 18.75 73.97 Favored Glycine 0 N--CA 1.47 0.912 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -75.49 -11.73 60.09 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.053 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 63.92 24.03 13.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 123.466 0.479 . . . . 0.0 111.964 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -145.24 119.57 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-O 121.001 0.429 . . . . 0.0 109.865 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.15 117.0 10.41 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.337 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.13 -170.33 1.78 Allowed 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -38.59 -49.29 1.52 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 124.599 1.187 . . . . 0.0 110.776 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -44.08 -57.34 3.44 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.804 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -86.05 -33.37 21.02 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.305 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -63.05 -37.2 86.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.974 -177.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.8 ttt -49.97 -44.81 51.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.315 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.06 -30.5 59.76 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.6 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 19.3 ttt -68.69 -54.63 15.05 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.454 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.18 -33.96 42.98 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -64.22 -49.5 71.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.705 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.94 -41.05 83.11 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.13 -40.95 91.57 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.599 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.27 -43.04 74.7 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.081 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.7 -37.67 93.74 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -64.11 -42.47 96.87 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.122 0.486 . . . . 0.0 110.456 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -59.6 -43.45 93.73 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.059 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.9 t -61.92 -45.61 92.93 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.501 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -61.5 -41.82 97.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.794 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.4 tp -57.76 -51.85 67.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.337 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -47.77 -40.61 21.19 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.74 0.65 . . . . 0.0 110.604 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -80.14 -34.31 37.82 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.145 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.02 -52.91 61.68 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -176.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.36 -1.58 38.44 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.893 -178.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 46.36 -98.24 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 O-C-N 123.517 0.511 . . . . 0.0 110.823 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -140.74 -62.17 0.49 Allowed 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.438 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.8 mp 53.09 -175.27 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.126 0.488 . . . . 0.0 110.234 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.538 0.498 0 CA-C-O 118.244 -0.884 . . . . 0.0 109.765 179.43 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.227 -0.082 0 CA-C-O 120.737 0.303 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.8 mtp -65.93 -45.98 79.9 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.82 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.94 -48.7 60.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 m -50.99 -45.06 61.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.201 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -54.62 -41.03 69.51 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -66.48 -41.61 88.69 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.664 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.87 -41.55 99.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.27 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.75 -58.5 8.32 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.675 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.09 -50.61 79.12 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.686 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.17 63.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -85.5 -32.86 21.99 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.303 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -82.54 -38.12 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.97 -56.46 20.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.439 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ALA . 88.4 mt-10 -62.61 -59.92 4.25 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.611 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.838 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -39.74 -55.51 1.91 Allowed 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 119.029 -0.51 . . . . 0.0 110.646 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.525 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 tp -68.09 -61.09 2.02 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 123.577 0.548 . . . . 0.0 111.564 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.56 -55.89 4.78 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 121.25 0.547 . . . . 0.0 109.552 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 37' ' ' HIS . 1.6 m-70 -80.93 29.41 0.33 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.779 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.838 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -118.84 -56.07 2.14 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 119.355 -0.355 . . . . 0.0 111.378 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.605 ' C ' ' O ' ' A' ' 38' ' ' ALA . 59.3 m-20 4.47 54.9 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.46 0.648 . . . . 0.0 110.878 -176.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.775 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -57.63 -52.73 64.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.932 -176.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.492 ' O ' ' C ' ' A' ' 42' ' ' ALA . 12.3 t-20 -89.03 19.93 3.9 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.147 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . 28.99 53.08 0.08 Allowed 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.471 0.482 . . . . 0.0 110.145 -178.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -99.25 -24.56 14.8 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.711 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 68.03 7.64 5.96 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 123.456 0.473 . . . . 0.0 111.184 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.466 ' C ' HD12 ' A' ' 46' ' ' LEU . 7.0 m-70 -116.85 166.14 12.5 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.466 HD12 ' C ' ' A' ' 45' ' ' HIS . 8.7 mp -117.28 99.76 7.24 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.07 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -99.39 135.15 41.22 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -38.53 -49.16 1.48 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -49.31 -54.95 14.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.967 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -59.2 -49.84 76.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.138 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -61.47 -60.43 3.72 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -51.51 -52.97 42.36 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.749 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -63.14 -46.6 86.49 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.772 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.63 -54.66 44.32 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.374 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -33.72 76.29 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.4 -49.64 69.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.277 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 70.0 m -61.18 -14.32 24.36 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -82.17 22.03 0.85 Allowed 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.489 -177.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.71 12.0 72.97 Favored Glycine 0 N--CA 1.46 0.284 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -99.74 150.11 22.65 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.166 0.508 . . . . 0.0 109.735 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.07 176.63 9.08 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.313 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -78.29 -40.6 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.389 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.8 -42.32 41.05 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.755 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.07 -38.71 58.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.383 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.9 mt -69.44 -22.75 25.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.136 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -62.31 -47.9 82.22 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.267 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.25 94.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.646 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -64.92 -37.33 79.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.485 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -78.61 -58.36 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.702 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -38.73 -38.34 0.4 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.877 0.37 . . . . 0.0 111.812 -175.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -7.25 0.14 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.456 ' H ' ' C ' ' A' ' 70' ' ' ALA . 35.7 m-85 -107.12 -6.13 17.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.061 0.85 . . . . 0.0 111.431 -176.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -76.66 115.3 16.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.0 t -87.45 -51.03 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.723 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -116.76 2.79 12.94 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.54 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.12 15.16 76.54 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -68.78 -14.03 62.77 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.542 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 62.95 35.0 13.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.345 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 79' ' ' VAL . 12.0 p -147.63 120.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.034 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mp -134.73 106.15 6.8 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.832 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -93.34 -166.87 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.31 0.576 . . . . 0.0 110.014 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.52 -14.47 0.5 Allowed 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.117 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -64.4 -59.22 4.61 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.372 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -84.27 -18.67 35.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.418 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -56.87 -37.95 72.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.9 mtt -56.18 -47.18 78.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.453 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -56.12 -41.81 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 36.0 ttm -59.43 -62.5 1.83 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.53 71.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -62.04 -49.11 77.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.4 -39.14 88.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.902 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.31 -25.21 63.21 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.442 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -73.65 -45.61 51.63 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 123.58 0.55 . . . . 0.0 110.766 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.15 -52.76 41.59 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -54.87 -38.66 67.79 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.798 0.332 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.66 -44.75 92.86 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.128 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.3 t -58.94 -46.25 88.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.23 0.538 . . . . 0.0 110.896 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.49 -32.21 73.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.064 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mp -78.46 -46.18 20.36 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.102 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -26.2 64.74 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.683 -177.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -46.84 -64.25 0.82 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.271 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -80.89 -41.39 23.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.877 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.953 -178.027 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 85.7 t60 . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.9 tpt -61.89 -40.97 97.24 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.409 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.63 88.61 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.127 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.6 t -62.63 -44.29 96.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.019 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.33 -45.6 92.48 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.619 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.56 HH21 ' NZ ' ' A' ' 96' ' ' LYS . 74.1 mtp180 -62.04 -31.49 71.9 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.848 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.98 -16.11 11.34 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.076 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 63.2 pttt -52.46 -32.58 40.36 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 121.359 0.6 . . . . 0.0 111.621 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.55 -46.14 97.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.342 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.149 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.47 -41.05 60.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.963 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -85.36 -42.4 14.59 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.516 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.91 -45.49 80.48 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 O-C-N 123.27 0.356 . . . . 0.0 111.296 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -53.42 -58.69 6.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 110.386 -176.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -60.92 -51.26 70.04 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.845 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.801 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.18 -60.38 1.69 Allowed 'General case' 0 C--O 1.195 -1.816 0 CA-C-O 117.592 -1.194 . . . . 0.0 109.692 -174.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 5.6 mt -68.17 -58.05 5.07 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.939 0.774 . . . . 0.0 111.813 178.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.91 -60.84 2.3 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.365 0.602 . . . . 0.0 109.724 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -77.54 23.59 0.22 Allowed 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.222 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -106.72 -57.17 2.09 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 117.54 -1.219 . . . . 0.0 111.03 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' ALA . 67.2 m-20 6.7 42.25 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.479 0 O-C-N 125.613 1.821 . . . . 0.0 111.752 -178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.797 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.08 -52.45 65.29 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.783 -174.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -81.39 -16.22 52.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.413 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 45.25 57.7 4.63 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.256 0.347 . . . . 0.0 110.837 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.0 p-10 -110.04 -8.51 14.81 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.524 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 66.7 6.41 4.5 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 124.153 0.908 . . . . 0.0 111.258 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -128.34 138.8 52.54 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.5 mt -119.58 104.51 10.36 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 123.802 0.689 . . . . 0.0 109.446 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -83.65 159.24 21.6 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.423 ' CE1' ' CE2' ' A' ' 69' ' ' PHE . 2.1 t80 -43.89 -44.38 6.98 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.65 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -52.75 -56.75 13.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.559 -178.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -55.48 -47.26 76.42 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.388 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -61.54 -58.83 6.56 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 38.6 ttm180 -49.23 -55.26 13.16 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.726 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.77 -42.79 90.39 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 123.988 0.805 . . . . 0.0 112.531 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -59.52 -54.4 47.05 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.776 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.47 -36.92 74.15 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.141 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 62.0 tttm -49.75 -47.73 50.62 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -176.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.4 m -53.5 -8.31 0.14 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.291 0.369 . . . . 0.0 111.671 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HE ' ' HA ' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -96.89 14.76 24.25 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.856 0.723 . . . . 0.0 111.776 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.36 -20.24 42.08 Favored Glycine 0 N--CA 1.475 1.292 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -59.4 133.65 56.29 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.76 162.91 14.67 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.646 ' O ' HG22 ' A' ' 65' ' ' ILE . 8.1 p-10 -68.29 -26.18 65.52 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.172 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.37 -46.0 43.39 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.979 0.419 . . . . 0.0 110.789 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -72.01 -23.17 61.36 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.335 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.646 HG22 ' O ' ' A' ' 62' ' ' ASP . 3.4 tp -54.2 -27.61 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.004 0.431 . . . . 0.0 111.381 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.26 -23.97 66.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.347 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.71 -47.65 21.26 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.463 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.0 t -63.61 -33.87 64.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.457 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CE2' ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -64.32 -65.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.77 -177.876 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.89 -18.29 4.73 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.184 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -53.59 -56.72 14.71 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 123.959 0.787 . . . . 0.0 109.7 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.713 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -103.36 -42.88 5.58 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.23 67.05 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.887 0.742 . . . . 0.0 109.88 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 72' ' ' TYR . 18.8 t -75.23 -12.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 -178.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 77' ' ' ASP . 50.5 m-20 -74.21 -15.04 61.02 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.89 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.31 -3.01 1.31 Allowed Glycine 0 N--CA 1.474 1.181 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 75' ' ' ASP . 36.7 p30 -74.4 -2.26 24.61 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.776 0.288 . . . . 0.0 110.281 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 56.71 15.44 2.18 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.598 1.186 . . . . 0.0 110.605 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.685 ' O ' HD22 ' A' ' 80' ' ' LEU . 91.8 t -139.18 139.26 40.07 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.041 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -141.04 142.77 34.16 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 124.469 1.106 . . . . 0.0 110.712 179.113 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -71.74 164.08 26.61 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 121.411 0.624 . . . . 0.0 110.198 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.85 -17.24 5.86 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.02 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.8 -27.13 68.04 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.253 0.549 . . . . 0.0 110.572 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.46 -25.17 64.86 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.554 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.3 -44.79 95.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.973 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 65.2 mtt -60.8 -51.24 70.19 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.628 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -60.76 -44.07 97.2 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.328 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.4 mtt -53.66 -63.28 1.2 Allowed 'General case' 0 N--CA 1.476 0.845 0 O-C-N 123.304 0.378 . . . . 0.0 110.818 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.84 -55.04 12.8 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.993 0.425 . . . . 0.0 111.501 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -62.96 -42.66 99.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.74 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.28 -44.93 94.92 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.77 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.35 -41.87 90.21 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.94 0.4 . . . . 0.0 110.031 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -48.13 59.53 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.89 -33.84 29.02 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -78.93 -33.49 45.38 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.56 ' NZ ' HH21 ' A' ' 25' ' ' ARG . 56.5 tttp -58.73 -30.78 67.73 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-O 120.842 0.353 . . . . 0.0 110.336 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.1 t -60.61 -42.46 96.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.587 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -60.8 -39.32 88.47 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.688 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.44 -38.09 56.0 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.859 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -52.35 -41.07 62.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.962 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -74.07 -47.15 38.51 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.259 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -47.75 -44.78 28.43 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.647 0.592 . . . . 0.0 110.642 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.9 mt . . . . . 0 CA--C 1.499 -0.984 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.09 179.217 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.8 t60 . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 120.594 0.235 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.2 mtt -61.11 -48.26 82.49 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.51 -53.65 53.75 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.365 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.2 p -53.28 -41.94 66.05 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.585 0.231 . . . . 0.0 111.443 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -49.75 -32.44 13.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.954 0.407 . . . . 0.0 110.911 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -71.06 -38.75 72.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.529 0.681 . . . . 0.0 109.441 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.47 -31.72 72.96 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.804 -177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.8 -59.54 5.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.274 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 pt -60.35 -40.14 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.66 -58.18 7.64 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 120.864 0.364 . . . . 0.0 111.395 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -68.35 -39.06 82.0 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.131 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.5 mt -69.22 -43.49 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 123.101 0.251 . . . . 0.0 110.869 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -61.94 -58.52 7.6 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.61 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.71 -57.15 13.9 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 123.71 0.631 . . . . 0.0 110.331 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.733 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.58 -58.38 2.67 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.13 -175.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.41 -58.65 4.38 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.965 0.791 . . . . 0.0 112.232 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.3 -57.95 5.92 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.418 0.627 . . . . 0.0 110.068 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -78.56 24.54 0.28 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.862 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -109.16 -55.55 2.4 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.594 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 1.78 51.2 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.784 0 O-C-N 125.778 1.924 . . . . 0.0 111.092 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -66.08 -51.29 59.44 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.332 -174.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -77.87 -16.48 58.24 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.47 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 51.74 55.38 9.41 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.537 0.208 . . . . 0.0 110.905 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -99.6 -11.99 20.49 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.438 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 63.24 5.88 2.16 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.697 0.799 . . . . 0.0 111.192 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -116.12 173.07 6.77 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.7 mt -128.41 110.12 12.04 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.881 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -110.08 146.76 34.85 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' ARG . 8.8 t80 -41.31 -44.41 2.72 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 123.784 0.677 . . . . 0.0 111.43 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -48.58 -54.48 14.38 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.633 0.583 . . . . 0.0 111.135 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -59.75 -50.94 71.85 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.565 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -66.77 -23.72 66.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' PHE . 70.4 ttp85 -81.72 -61.97 1.77 Allowed 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.43 -36.31 73.91 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -64.53 -55.37 21.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.562 0.539 . . . . 0.0 112.395 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.17 -28.3 57.28 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.998 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 62.9 tttp -56.33 -46.05 80.07 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -177.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.4 m -63.61 -4.13 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -95.5 10.6 35.97 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.899 0.479 . . . . 0.0 110.826 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.39 -2.4 74.25 Favored Glycine 0 N--CA 1.473 1.126 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.429 ' N ' ' ND1' ' A' ' 60' ' ' HIS . 1.8 m80 -81.41 140.69 34.53 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.02 160.38 14.74 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.85 -30.42 70.59 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.136 0.493 . . . . 0.0 110.285 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.05 83.94 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.268 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -56.13 -22.42 28.32 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.3 mt -53.04 -31.12 17.0 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -61.24 -43.2 99.26 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.59 -53.66 26.35 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.86 -25.1 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -63.9 1.11 Allowed 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.651 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.44 -19.45 0.32 Allowed 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.724 0.773 . . . . 0.0 111.235 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -80.91 -37.31 29.83 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.684 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -115.21 -23.72 8.83 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.18 129.03 42.45 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 123.264 0.625 . . . . 0.0 110.912 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.623 HG23 ' H ' ' A' ' 75' ' ' ASP . 27.2 m -73.85 -60.44 2.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.367 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.623 ' H ' HG23 ' A' ' 74' ' ' VAL . 46.8 p-10 -116.8 18.3 14.87 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.187 0.995 . . . . 0.0 111.225 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.38 36.55 58.09 Favored Glycine 0 N--CA 1.478 1.489 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -70.99 5.03 2.22 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 51.93 22.84 1.9 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 79' ' ' VAL . 11.6 p -146.38 119.53 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mp -140.1 97.45 3.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.641 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -89.24 -168.29 2.13 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.59 -17.11 0.08 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 122.705 0.402 . . . . 0.0 111.868 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -62.94 1.19 Allowed 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.095 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -87.49 -24.59 24.05 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 120.987 0.422 . . . . 0.0 110.971 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -64.78 -40.52 95.39 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.062 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.1 ttt -46.99 -41.23 15.96 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.04 -36.06 80.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.528 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.5 ttt -60.2 -62.46 1.85 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.52 -42.84 55.54 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -63.32 -44.16 95.76 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.584 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -65.19 -41.96 94.08 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.8 0.333 . . . . 0.0 111.12 -178.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.44 -38.6 91.61 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.052 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -64.69 -42.94 94.97 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.618 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.51 -38.22 94.54 Favored Glycine 0 N--CA 1.467 0.73 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -42.72 96.55 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.48 -49.58 76.23 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.173 0.295 . . . . 0.0 110.412 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.3 m -62.36 -44.18 97.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.865 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.79 -38.18 89.62 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.478 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.1 tp -63.72 -43.92 95.12 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.962 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -51.19 -37.56 47.26 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.816 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -74.19 -47.23 36.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.822 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -51.68 -45.94 63.64 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.73 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.4 tp . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.274 179.529 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.0 mtt -65.42 -39.17 91.8 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.431 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.77 85.1 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -67.11 -44.05 80.93 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -72.5 -19.44 61.54 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.839 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -46.68 -35.54 6.15 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 123.725 0.641 . . . . 0.0 110.962 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.32 -47.48 14.45 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.54 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -62.92 -23.27 67.29 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.204 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.8 mm -58.89 -55.8 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.13 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.43 -20.25 40.75 Favored 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 123.672 0.607 . . . . 0.0 109.866 -177.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.73 -38.71 49.09 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -67.79 -23.97 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.647 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.548 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -82.08 -56.45 3.93 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 123.579 0.55 . . . . 0.0 111.971 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.19 -40.25 93.23 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.536 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.777 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.98 -58.17 2.94 Favored 'General case' 0 C--O 1.193 -1.869 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.423 -175.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.47 -58.66 4.78 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.209 0.943 . . . . 0.0 111.607 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.81 -56.49 8.54 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.572 0.701 . . . . 0.0 109.623 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -80.96 25.04 0.47 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.975 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -111.32 -56.55 2.36 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 118.058 -0.973 . . . . 0.0 111.2 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' ALA . 11.2 p30 7.4 49.85 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 O-C-N 125.494 1.746 . . . . 0.0 110.945 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.77 -50.81 70.85 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.239 -175.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -76.44 -16.84 59.59 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.761 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 41.2 55.18 3.32 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.417 0.448 . . . . 0.0 110.947 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -101.2 -9.61 21.13 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.273 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 74.41 4.05 4.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.336 1.054 . . . . 0.0 110.511 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.9 135.87 50.59 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.04 126.75 35.56 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -112.11 139.72 47.39 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -45.91 -44.65 14.77 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.341 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -51.49 -56.03 15.65 Favored 'General case' 0 C--N 1.341 0.214 0 O-C-N 123.454 0.471 . . . . 0.0 111.031 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -55.41 -46.62 76.63 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.495 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.428 ' HE1' HG23 ' A' ' 65' ' ' ILE . 60.0 t-105 -60.46 -60.02 4.48 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 121.249 0.547 . . . . 0.0 110.904 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -50.68 -53.59 29.93 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.947 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -66.05 -44.18 85.32 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 123.744 0.652 . . . . 0.0 112.158 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -59.6 -51.62 69.03 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.406 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.18 -33.92 75.34 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -53.25 -48.18 68.45 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.676 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.73 -15.82 33.26 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.014 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 17.85 0.6 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.51 14.13 80.53 Favored Glycine 0 N--CA 1.462 0.406 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.428 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -104.35 150.48 24.44 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.41 160.13 14.67 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -59.45 -43.26 93.19 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.55 -49.03 79.17 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.049 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -59.92 -39.67 86.26 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.701 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.428 HG23 ' HE1' ' A' ' 51' ' ' TRP . 94.9 mt -60.08 -23.45 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.638 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -57.73 -35.43 70.67 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.835 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.04 -40.88 62.54 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.141 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.52 -22.69 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.132 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -61.64 -64.25 1.0 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.1 0.476 . . . . 0.0 111.529 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.48 -16.82 2.56 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.144 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -52.51 -57.31 10.33 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.595 0.559 . . . . 0.0 110.441 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 74' ' ' VAL . 72.0 m-85 -99.02 -41.09 7.72 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.407 ' OD2' HD22 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -63.0 62.49 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.211 0.944 . . . . 0.0 110.238 -177.628 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' TYR . 54.4 t -60.09 -48.55 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -66.99 -12.9 61.17 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.529 ' C ' ' H ' ' A' ' 78' ' ' ARG . . . 47.26 18.65 0.54 Allowed Glycine 0 C--N 1.35 1.354 0 N-CA-C 112.728 -0.149 . . . . 0.0 112.728 177.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -69.75 14.8 0.09 Allowed 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.529 ' H ' ' C ' ' A' ' 76' ' ' GLY . 86.9 mtm180 54.41 10.06 0.3 Allowed 'General case' 0 C--N 1.347 0.486 0 C-N-CA 122.92 0.488 . . . . 0.0 111.771 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.6 t -147.28 132.72 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.662 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.712 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -141.38 141.45 33.79 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 106.039 -1.838 . . . . 0.0 106.039 178.302 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -82.84 172.68 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.36 0.6 . . . . 0.0 110.493 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.29 -15.15 1.43 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.275 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -67.62 -39.05 84.72 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.295 0.569 . . . . 0.0 111.051 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -67.46 -26.02 66.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.524 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.34 -42.95 92.36 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.3 tpt -59.49 -47.34 85.9 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -63.76 -39.24 93.78 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.857 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 24.9 ttt -54.67 -60.02 3.93 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.96 -45.37 15.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.32 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -59.76 -30.14 68.65 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.973 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -76.58 -50.76 13.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.445 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.09 -41.97 99.5 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -50.35 -30.47 12.26 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.127 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.12 -32.15 83.2 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.46 -41.65 98.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.033 0.444 . . . . 0.0 110.358 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -58.14 -42.77 86.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.285 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.2 t -61.59 -38.8 88.89 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.193 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.41 -44.18 97.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.355 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.62 -40.83 97.9 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.645 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -55.03 -48.16 73.77 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.46 -40.11 77.32 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.075 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -50.58 -49.81 55.32 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.789 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.8 tp . . . . . 0 C--O 1.233 0.184 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.086 178.664 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.9 p80 . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 110.61 -0.144 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -37.51 87.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 O-C-N 123.216 0.322 . . . . 0.0 110.754 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.16 -56.84 17.03 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.692 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.3 p -62.78 -43.76 97.97 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.662 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.67 -42.82 97.85 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.448 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.4 mmp_? -73.56 -44.56 57.12 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.545 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -63.79 -15.58 59.07 Favored 'General case' 0 CA--C 1.51 -0.588 0 O-C-N 123.398 0.436 . . . . 0.0 110.199 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -52.72 -17.34 1.28 Allowed 'General case' 0 C--O 1.241 0.632 0 CA-C-O 121.401 0.62 . . . . 0.0 111.672 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.8 pt -63.28 -25.68 39.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.431 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.188 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.74 -56.46 13.66 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.46 0.648 . . . . 0.0 111.252 -177.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -67.9 -38.91 83.59 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.515 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.0 mt -70.0 -44.41 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 121.047 0.451 . . . . 0.0 111.653 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -56.53 -58.67 7.05 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.41 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -60.59 -54.92 39.6 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.226 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.89 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -41.82 -60.98 1.21 Allowed 'General case' 0 C--O 1.188 -2.142 0 O-C-N 123.975 0.797 . . . . 0.0 109.513 -175.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.417 ' N ' ' OE2' ' A' ' 54' ' ' GLU . 34.6 tp -65.65 -57.59 7.74 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.753 0.787 . . . . 0.0 112.166 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.24 -60.81 2.49 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.668 0.747 . . . . 0.0 111.116 -175.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -80.45 25.26 0.42 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.466 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -115.36 -55.92 2.41 Favored 'General case' 0 CA--C 1.49 -1.36 0 CA-C-O 117.026 -1.464 . . . . 0.0 111.493 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 38' ' ' ALA . 57.1 m-20 5.83 51.83 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 125.56 1.788 . . . . 0.0 111.126 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.682 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.98 -52.69 62.02 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.054 -175.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -76.41 -17.04 59.56 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 124.024 0.828 . . . . 0.0 110.438 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 49.05 56.75 7.31 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.282 0.364 . . . . 0.0 111.806 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 p30 -103.7 -9.71 18.92 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.2 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 64.07 6.47 2.9 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 124.267 0.98 . . . . 0.0 111.384 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.405 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 80.1 m80 -127.63 137.42 52.53 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 tp -96.12 122.48 39.0 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.422 1.076 . . . . 0.0 111.407 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -111.34 143.56 41.95 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -46.05 -47.58 16.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.62 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -47.05 -57.56 4.92 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.38 0.609 . . . . 0.0 111.207 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -56.23 -44.31 79.47 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.167 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -59.13 -59.93 4.68 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.053 0.454 . . . . 0.0 110.666 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 59.2 ttp180 -51.49 -56.66 12.15 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.603 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.11 -43.47 95.21 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.743 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.417 ' OE2' ' N ' ' A' ' 35' ' ' LEU . 39.4 tt0 -60.88 -54.1 49.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.277 0.561 . . . . 0.0 110.845 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.65 -28.85 61.03 Favored 'General case' 0 CA--C 1.485 -1.528 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.516 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.4 tttm -54.44 -48.26 71.91 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -176.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.7 p -62.04 -6.03 2.63 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.441 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -94.23 15.84 16.35 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.623 0.369 . . . . 0.0 110.811 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.19 -1.92 80.59 Favored Glycine 0 N--CA 1.468 0.777 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.559 ' N ' ' ND1' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -82.72 144.22 30.37 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.297 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.15 157.04 17.06 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -62.8 -31.78 72.83 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.838 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.09 -49.24 46.62 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.564 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -57.02 -32.06 65.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.481 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.528 ' O ' HG12 ' A' ' 68' ' ' VAL . 57.4 mt -56.56 -25.74 21.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 121.087 0.47 . . . . 0.0 110.355 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -55.14 -36.74 66.11 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.536 -177.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.45 -45.34 39.22 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.739 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 65' ' ' ILE . 2.2 p -61.32 -23.61 30.89 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.536 -177.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.87 -60.29 3.46 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.347 0.594 . . . . 0.0 109.791 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.52 -18.46 0.24 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.806 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -56.15 -57.77 10.79 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.079 -176.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.891 ' O ' ' N ' ' A' ' 74' ' ' VAL . 67.3 m-85 -99.44 -45.31 5.87 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-O 116.265 -1.826 . . . . 0.0 109.628 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' TYR . 17.1 p-10 7.07 36.75 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 125.763 1.915 . . . . 0.0 112.353 -178.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.891 ' N ' ' O ' ' A' ' 72' ' ' TYR . 2.8 p -41.98 -60.56 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -175.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.722 ' H ' HG13 ' A' ' 74' ' ' VAL . 48.3 t0 -103.49 -9.69 19.13 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 124.592 1.183 . . . . 0.0 109.583 178.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.6 29.3 0.14 Allowed Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' A' ' 79' ' ' VAL . 30.8 t70 -86.16 21.68 1.96 Allowed 'General case' 0 CA--C 1.508 -0.657 0 CA-C-O 121.057 0.456 . . . . 0.0 109.86 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.433 ' HA ' ' HE ' ' A' ' 78' ' ' ARG . 0.6 OUTLIER 60.53 0.21 0.31 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.657 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.749 ' C ' HD22 ' A' ' 80' ' ' LEU . 43.2 t -143.95 131.29 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.941 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 79' ' ' VAL . 3.3 mm? -137.43 94.47 2.93 Favored 'General case' 0 CA--C 1.49 -1.349 0 O-C-N 125.194 1.559 . . . . 0.0 109.353 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 22.6 t70 -62.32 -170.5 0.02 OUTLIER 'General case' 0 C--O 1.256 1.444 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.521 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -62.28 -13.36 27.55 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 124.67 1.188 . . . . 0.0 111.435 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -70.4 -52.77 19.99 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.807 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -82.89 -22.18 34.04 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -63.26 -46.54 86.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.23 0.538 . . . . 0.0 110.872 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.1 tpp -50.01 -41.21 46.76 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.71 0.767 . . . . 0.0 110.024 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.91 -37.8 85.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.33 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 64.3 mtt -59.95 -60.9 3.09 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.992 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.2 -38.4 18.17 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.283 0.364 . . . . 0.0 111.096 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -73.42 -32.04 64.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.156 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -66.54 -41.15 89.14 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.028 0.442 . . . . 0.0 111.458 -178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.5 mt -52.2 -55.09 23.39 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.262 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.36 -43.69 80.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.813 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.68 -43.05 86.37 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -68.92 -35.04 76.36 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.69 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.4 -30.68 70.7 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-O 121.071 0.462 . . . . 0.0 110.559 -178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.4 t -57.41 -36.57 71.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.765 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -64.36 -36.96 85.84 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.258 0.552 . . . . 0.0 110.499 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.51 -39.25 85.14 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.533 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -50.12 -42.44 50.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.642 0.735 . . . . 0.0 110.076 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -68.06 -48.35 65.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.949 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -49.97 -46.52 52.52 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.262 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.419 0 O-C-N 123.679 0.612 . . . . 0.0 109.753 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.8 p80 . . . . . 0 N--CA 1.472 0.658 0 CA-C-O 120.768 0.318 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -61.5 -39.78 92.2 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.75 -38.65 56.27 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.76 0.314 . . . . 0.0 110.395 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.6 m -63.82 -38.66 91.94 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.396 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -61.25 -42.57 98.85 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.492 0.663 . . . . 0.0 110.22 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.94 -42.39 94.71 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.43 0.633 . . . . 0.0 109.383 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.31 -25.19 64.1 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.603 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -62.42 -55.37 28.45 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.05 -40.69 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.432 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.73 -49.04 74.12 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -68.26 -36.54 79.6 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.792 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.6 mt -71.97 -37.57 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.176 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -62.36 -58.53 7.32 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.76 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -60.57 -58.06 10.09 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.331 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.677 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.81 -58.18 2.86 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.341 -175.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.74 -58.57 5.36 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 123.875 0.734 . . . . 0.0 111.796 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.57 -58.33 4.85 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.623 0.725 . . . . 0.0 110.254 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -79.42 23.84 0.38 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.689 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.748 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -105.82 -55.88 2.26 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.937 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 p30 2.89 47.46 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.619 0 O-C-N 125.827 1.954 . . . . 0.0 111.793 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.748 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -64.86 -51.6 61.15 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.85 -175.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.4 p-10 -77.28 -16.93 58.75 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.284 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.21 56.71 6.53 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.459 0.171 . . . . 0.0 111.181 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -104.17 -6.95 20.52 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 122.377 0.271 . . . . 0.0 110.424 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 61.14 6.25 1.26 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.754 0.822 . . . . 0.0 111.605 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.417 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 1.9 p80 -132.83 145.16 50.73 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.8 mt -124.44 113.14 17.76 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.947 0.779 . . . . 0.0 111.886 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -101.48 173.8 6.27 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.95 -51.09 17.79 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -52.83 -54.82 28.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 111.542 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 39.3 tp10 -60.21 -50.8 72.22 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.033 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -58.52 -59.57 5.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.845 0.355 . . . . 0.0 111.422 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 40.9 ttm180 -51.85 -55.8 17.81 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.936 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -63.18 -41.9 99.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -63.48 -54.09 41.81 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.295 0.372 . . . . 0.0 110.897 -178.233 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.86 -27.75 60.38 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.1 tttp -55.82 -47.39 77.27 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.176 -0.61 . . . . 0.0 112.435 -176.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.0 t -61.1 -3.0 0.71 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -92.85 9.48 35.14 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.783 0.433 . . . . 0.0 110.354 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.01 7.72 63.95 Favored Glycine 0 N--CA 1.473 1.108 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.41 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 1.7 m80 -88.59 138.02 31.8 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.7 148.9 21.8 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 65' ' ' ILE . 22.2 t0 -57.66 -33.32 68.19 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 110.55 -0.167 . . . . 0.0 110.55 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.17 -49.71 68.79 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.797 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.43 -27.74 68.07 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.188 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 68' ' ' VAL . 51.9 mt -63.6 -25.41 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -58.86 -29.47 66.99 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.23 -0.919 . . . . 0.0 110.068 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.86 -44.71 39.39 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.778 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 65' ' ' ILE . 3.2 m -67.33 -23.23 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.397 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -62.27 -65.84 0.63 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.795 0.331 . . . . 0.0 111.152 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.63 -17.22 1.19 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.154 0.582 . . . . 0.0 112.028 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -54.15 -56.72 15.45 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.362 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -115.64 2.63 13.78 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.132 0.573 . . . . 0.0 110.603 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -100.69 71.55 1.49 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.2 t -57.66 -54.09 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.641 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.22 -18.01 18.66 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.548 0.53 . . . . 0.0 109.676 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.546 ' C ' ' H ' ' A' ' 78' ' ' ARG . . . 36.71 66.49 0.48 Allowed Glycine 0 N--CA 1.475 1.25 0 O-C-N 123.959 0.787 . . . . 0.0 112.61 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.6 24.15 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.687 0.279 . . . . 0.0 110.66 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.546 ' H ' ' C ' ' A' ' 76' ' ' GLY . 14.0 tpp180 72.47 0.27 3.55 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.02 0.528 . . . . 0.0 110.294 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.51 139.55 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.4 mt -133.66 92.73 3.02 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -102.73 -167.21 1.36 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.38 -23.07 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.368 0 O-C-N 123.783 0.677 . . . . 0.0 112.502 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.67 -63.19 1.12 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.302 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -88.53 -24.19 22.98 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.177 0.591 . . . . 0.0 112.02 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -65.1 -43.25 92.68 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.59 -177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.2 ttt -55.05 -49.4 71.71 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.252 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -61.57 -40.91 96.42 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.252 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.7 ttp -62.54 -61.83 2.16 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.265 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.75 -44.85 38.99 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.634 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -58.26 -43.78 88.08 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.033 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.95 -43.57 87.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.972 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.44 -45.98 92.01 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.209 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.31 -40.35 93.66 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.64 -22.27 78.54 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -60.18 -40.61 90.58 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.964 0.411 . . . . 0.0 110.73 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -59.19 -44.28 92.2 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.715 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.3 m -59.4 -42.56 92.03 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.456 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.89 -44.69 94.08 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.109 0.481 . . . . 0.0 110.425 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.54 -36.01 70.84 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.402 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -54.16 -44.51 71.51 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.875 0.369 . . . . 0.0 110.238 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -69.66 -46.88 65.11 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.306 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -52.92 -46.66 68.17 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.205 0.526 . . . . 0.0 110.416 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.7 mt . . . . . 0 N--CA 1.469 0.49 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.709 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.218 -0.578 0 CA-C-O 121.229 0.538 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.4 mmt -56.48 -48.92 76.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.292 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.49 -44.64 72.82 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.493 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 p -55.58 -42.29 74.53 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.128 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.84 -41.65 96.25 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.661 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -63.32 -45.15 92.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.873 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -70.33 -27.17 64.15 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.107 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -59.06 -53.94 52.68 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 123.83 0.706 . . . . 0.0 111.056 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.35 -40.6 88.97 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.094 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.73 -59.87 3.96 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.765 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.49 -27.63 67.72 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.387 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.1 mt -82.29 -37.15 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.641 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -51.89 -56.39 14.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.035 0.445 . . . . 0.0 110.928 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -63.17 -50.03 71.98 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.58 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.752 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -42.95 -60.08 1.75 Allowed 'General case' 0 C--O 1.205 -1.287 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.769 -173.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.3 pp -68.24 -56.44 8.68 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.768 0.667 . . . . 0.0 111.621 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.468 ' N ' HD12 ' A' ' 35' ' ' LEU . . . -48.05 -58.83 3.94 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.417 0.627 . . . . 0.0 109.989 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -79.07 25.03 0.3 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.202 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.821 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -110.19 -55.73 2.42 Favored 'General case' 0 CA--C 1.492 -1.251 0 CA-C-O 117.422 -1.275 . . . . 0.0 112.034 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' ALA . 16.8 p-10 0.8 48.49 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.586 0 O-C-N 125.77 1.919 . . . . 0.0 111.397 -177.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.821 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.6 -51.83 66.91 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.715 -174.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -87.22 -14.56 40.73 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.933 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 62.0 54.16 2.84 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.547 0.53 . . . . 0.0 111.051 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -100.65 -24.32 14.46 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 65.33 9.63 5.84 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 123.73 0.644 . . . . 0.0 111.41 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.516 ' CE1' ' H ' ' A' ' 80' ' ' LEU . 15.6 t-80 -121.66 136.91 54.93 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.3 mt -97.21 98.47 10.04 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -99.43 147.75 24.93 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -40.74 -48.77 3.05 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -51.55 -56.21 14.73 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.587 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.63 -52.01 66.96 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.36 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -59.68 -59.94 4.64 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.043 0.449 . . . . 0.0 111.221 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.529 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 3.7 tmt_? -53.81 -54.11 42.99 Favored 'General case' 0 C--O 1.207 -1.176 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.633 -177.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.67 -45.69 88.99 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -59.39 -53.41 58.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.895 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.54 -28.23 60.87 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.817 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 22.3 ttpp -57.67 -47.56 81.97 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.319 -178.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.15 -9.44 23.03 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 123.209 0.318 . . . . 0.0 111.156 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.46 23.6 0.62 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.36 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.7 81.26 Favored Glycine 0 N--CA 1.465 0.625 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.441 ' N ' ' ND1' ' A' ' 60' ' ' HIS . 0.4 OUTLIER -99.47 148.92 23.74 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.73 171.67 14.29 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.418 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 48.4 t0 -77.17 -39.62 48.34 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.623 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.55 -44.58 23.89 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.57 77.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.568 -177.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.3 tp -65.49 -24.78 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.815 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.667 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.99 -39.18 77.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.754 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.78 94.17 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.972 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.37 -48.78 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.532 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -70.62 -57.46 4.7 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.002 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.41 -36.54 0.56 Allowed 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.394 0.616 . . . . 0.0 111.727 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -56.31 -9.92 0.79 Allowed 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.252 -0.885 . . . . 0.0 113.121 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -109.29 -5.69 15.79 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.456 0.702 . . . . 0.0 111.475 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.44 119.14 21.33 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.5 t -80.53 -58.71 3.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.283 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -115.79 11.64 15.67 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.438 0.461 . . . . 0.0 110.813 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.32 19.44 72.43 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -70.46 -13.22 62.03 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 63.65 28.8 15.11 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.5 t -144.16 118.69 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.516 ' H ' ' CE1' ' A' ' 45' ' ' HIS . 43.8 mt -137.66 108.43 6.65 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -89.15 -167.97 2.04 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.375 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.72 -15.08 2.67 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.409 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -62.23 -59.16 5.44 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.185 0.516 . . . . 0.0 112.149 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -83.6 -20.86 32.95 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.367 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -56.92 -35.96 69.62 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.674 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 70.5 mtp -58.24 -45.26 88.09 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -57.81 -40.02 78.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.729 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 53.8 mtt -59.14 -61.03 2.94 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.484 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.19 73.83 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.992 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -54.16 -48.68 70.63 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.147 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.94 -41.93 77.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.285 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.3 mt -69.11 -35.87 76.89 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.491 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -69.54 -42.49 74.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.964 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.37 -45.92 35.99 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -59.21 -40.31 85.41 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.76 0.314 . . . . 0.0 110.644 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.7 -46.5 75.38 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.437 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 38.7 t -69.08 -23.97 64.09 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.326 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -84.77 -24.65 28.66 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.86 -44.38 69.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.367 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 101' ' ' ASN . 24.6 p30 -47.22 -28.2 1.8 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.662 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 78.0 m-20 -70.82 -47.46 59.3 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 121.704 0.764 . . . . 0.0 109.583 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -52.22 -42.78 63.84 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.496 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 103' ' ' LEU . 9.8 mp . . . . . 0 N--CA 1.471 0.607 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.347 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.4 t60 . . . . . 0 N--CA 1.466 0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.3 mtp -62.2 -47.2 85.51 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.11 0.481 . . . . 0.0 110.724 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.65 73.22 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.701 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.0 p -54.91 -45.78 74.77 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.067 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -62.06 -43.61 98.46 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.79 0.329 . . . . 0.0 111.02 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -65.8 -39.85 91.31 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.54 -40.13 95.03 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.693 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.82 -49.67 74.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.5 mt -58.54 -48.95 84.03 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.77 -30.99 64.17 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.465 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -85.74 -35.28 20.89 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.493 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.8 mt -82.21 -36.47 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.937 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -58.1 -57.46 12.75 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -62.12 -55.44 28.83 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 124.214 0.946 . . . . 0.0 110.236 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.756 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.82 -55.61 4.39 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.587 -176.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.522 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 3.4 tm? -70.34 -59.99 2.54 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 124.821 1.326 . . . . 0.0 111.141 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.43 -57.45 6.07 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 122.156 0.979 . . . . 0.0 110.402 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -76.11 27.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.14 -1.845 . . . . 0.0 110.149 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -113.57 -55.6 2.49 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.12 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' ALA . 61.6 m-20 8.74 49.21 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.741 0 O-C-N 125.809 1.943 . . . . 0.0 110.151 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.03 -51.96 67.4 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.306 -174.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -79.88 -14.91 58.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.388 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 52.67 55.74 8.62 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.748 0.308 . . . . 0.0 110.713 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -106.84 -15.12 14.81 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 68.59 8.24 6.57 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.618 0.574 . . . . 0.0 110.464 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.35 169.76 9.99 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mp -124.31 102.96 7.95 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.748 1.28 . . . . 0.0 111.24 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -102.91 141.58 35.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 52' ' ' ARG . 22.4 t80 -40.57 -47.6 2.73 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 124.549 1.156 . . . . 0.0 112.264 -177.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -50.81 -50.11 57.04 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.238 0.336 . . . . 0.0 111.495 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -59.45 -51.89 67.96 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.641 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -70.98 -18.55 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.092 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' PHE . 56.9 ttp180 -79.77 -62.46 1.68 Allowed 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -69.52 -37.09 77.0 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.895 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -60.14 -55.38 34.57 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.292 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.35 -32.57 68.68 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.565 -175.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -56.14 -48.2 76.71 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -60.47 -8.96 3.07 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.372 0.42 . . . . 0.0 111.43 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -85.67 21.22 1.9 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.694 0.398 . . . . 0.0 110.82 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.53 14.18 78.76 Favored Glycine 0 C--O 1.226 -0.397 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.442 ' N ' ' ND1' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -104.2 154.83 19.29 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.17 167.93 15.26 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -78.05 -33.4 51.0 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.747 0.655 . . . . 0.0 111.928 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.75 -44.8 26.55 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.595 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -58.33 -42.99 88.01 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.177 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.3 pt -68.68 -23.7 28.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.475 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -61.8 -39.33 91.36 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.121 0.263 . . . . 0.0 110.692 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.35 87.76 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.753 0.658 . . . . 0.0 110.561 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 t -71.17 -36.61 63.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.472 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -75.69 -62.62 1.52 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.147 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.83 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.178 0.513 . . . . 0.0 111.926 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -55.04 -11.04 0.59 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.21 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -109.17 -5.55 15.91 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.646 0.378 . . . . 0.0 111.406 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -92.87 57.74 2.87 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.33 -45.22 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -69.47 -13.71 62.49 Favored 'General case' 0 C--O 1.23 0.046 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.23 12.04 68.39 Favored Glycine 0 C--N 1.341 0.826 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -89.65 -15.03 33.58 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 117.087 0.443 . . . . 0.0 110.285 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 71.84 35.52 1.35 Allowed 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.626 0.579 . . . . 0.0 112.182 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.494 ' C ' HD23 ' A' ' 80' ' ' LEU . 2.4 m -146.31 124.33 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -140.89 109.52 5.97 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.545 -178.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -99.41 -168.12 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.87 -17.23 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.177 0.591 . . . . 0.0 112.058 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -66.26 -61.45 2.01 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.747 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -86.24 -21.8 27.22 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.225 0.536 . . . . 0.0 111.158 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -60.97 -45.5 94.53 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.839 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -51.2 -46.58 62.22 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.131 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -59.04 -41.33 87.58 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.187 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.1 ttt -65.44 -60.07 3.34 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.445 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.72 -39.71 74.41 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.242 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -60.55 -51.27 70.13 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -70.41 -37.09 74.39 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.76 -44.66 95.63 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.148 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.24 -37.66 88.1 Favored 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.882 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.3 -27.45 59.69 Favored Glycine 0 C--N 1.339 0.7 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.71 -42.63 99.74 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.763 0.316 . . . . 0.0 110.19 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.05 -42.64 98.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.675 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.0 m -61.99 -42.04 98.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.267 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -62.76 -39.38 93.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.27 -42.07 69.24 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.079 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -44.91 80.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -63.93 -59.55 4.37 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.22 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -44.3 -34.0 1.79 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.352 0.596 . . . . 0.0 110.575 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 CA--C 1.536 0.408 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.724 179.708 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.8 t60 . . . . . 0 C--O 1.227 -0.103 0 CA-C-O 120.938 0.399 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 38.4 ttm -61.34 -38.94 88.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.72 -33.69 23.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.474 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.2 p -63.75 -37.21 86.53 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.032 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -57.29 -43.32 83.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.438 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -63.55 -44.83 93.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.3 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -68.65 -29.12 67.54 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.247 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.14 -59.25 5.71 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.333 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 pt -63.2 -38.62 82.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.52 -30.53 65.22 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.582 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -85.06 -34.64 22.22 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.29 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -82.29 -36.94 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.686 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -58.21 -58.72 7.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.473 0.483 . . . . 0.0 111.194 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -61.71 -56.12 23.03 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.778 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.741 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -44.38 -58.74 2.76 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.09 -175.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.7 tp -65.32 -59.54 3.94 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 124.611 1.194 . . . . 0.0 111.726 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.92 -54.08 13.85 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.564 0.697 . . . . 0.0 109.861 -176.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -83.36 23.75 0.88 Allowed 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.672 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.789 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -107.3 -55.26 2.36 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.353 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' ALA . 19.1 p-10 1.71 50.04 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.019 0 O-C-N 125.351 1.657 . . . . 0.0 110.962 -177.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.789 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.91 -51.01 69.91 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.571 -174.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -91.87 -16.41 26.73 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.689 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 57.31 55.59 5.73 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 123.351 0.407 . . . . 0.0 111.79 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -99.06 -18.82 17.55 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 70.64 5.93 5.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.525 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -121.42 134.42 55.09 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 46' ' ' LEU . 4.2 mm? -85.18 114.79 22.56 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -104.79 134.66 47.55 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.419 -1.264 . . . . 0.0 108.246 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -44.88 -44.13 9.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.676 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -53.87 -52.73 59.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.932 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -62.43 -51.94 65.51 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.732 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.408 ' NE1' HD12 ' A' ' 55' ' ' LEU . 23.0 t-105 -60.45 -60.02 4.48 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.066 0.46 . . . . 0.0 110.981 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 7.1 tmm_? -50.87 -50.53 56.88 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.469 -177.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -66.1 -40.51 90.84 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.128 0.893 . . . . 0.0 111.699 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -60.91 -53.49 56.61 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.746 0.654 . . . . 0.0 111.218 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.408 HD12 ' NE1' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -74.89 -28.66 60.73 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.804 -176.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 88.2 tttt -55.42 -48.19 74.8 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -176.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.8 p -59.51 -4.15 0.57 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' A' ' 56' ' ' LYS . 33.0 mtp85 -100.32 13.2 35.19 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.498 0.499 . . . . 0.0 111.747 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.53 -20.78 25.37 Favored Glycine 0 N--CA 1.476 1.348 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -64.29 142.19 58.5 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.34 168.19 11.23 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -76.99 -33.64 57.57 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.8 0.688 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.82 -46.71 67.92 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -177.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.18 -40.66 96.58 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.8 pt -76.43 -22.38 15.33 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.832 0 O-C-N 123.189 0.306 . . . . 0.0 110.889 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -54.9 -40.73 70.13 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.454 0.471 . . . . 0.0 111.516 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.24 -31.9 66.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.994 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 t -84.74 -37.56 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -74.37 -36.79 63.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.86 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.72 -15.95 58.78 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 123.151 0.58 . . . . 0.0 111.768 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -56.62 -12.52 1.84 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -106.19 -2.08 22.89 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.336 0.254 . . . . 0.0 110.974 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.32 136.46 33.47 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -58.99 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.692 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -116.73 27.44 9.17 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.544 0.738 . . . . 0.0 110.662 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.15 39.75 98.06 Favored Glycine 0 C--N 1.343 0.945 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -74.17 -15.46 61.02 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.451 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 75.11 -0.22 3.36 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 124.502 1.126 . . . . 0.0 111.728 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.462 ' C ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -148.31 133.74 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.888 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -141.78 134.99 29.24 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.546 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -87.62 -168.06 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.329 0.585 . . . . 0.0 109.89 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.32 -14.9 0.11 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.285 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -68.32 -62.36 1.43 Allowed 'General case' 0 C--N 1.343 0.296 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.61 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.51 -21.97 26.66 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.898 0.479 . . . . 0.0 111.393 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -62.3 -38.9 91.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.493 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.5 ttm -53.51 -46.9 70.26 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -59.0 -39.57 82.23 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.258 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 28.2 ttt -64.69 -60.98 2.49 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.747 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.39 20.16 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.534 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -63.96 -47.39 80.63 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.293 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -61.24 -41.72 97.37 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.144 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.15 -38.31 87.81 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.976 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -72.22 -49.14 37.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.306 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.58 -17.73 60.44 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -58.33 -40.87 83.25 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.107 -0.547 . . . . 0.0 110.767 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.02 -56.13 25.75 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.931 0.396 . . . . 0.0 111.465 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 93.9 p -53.72 -41.92 67.54 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.326 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -59.86 -47.09 87.13 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.07 -32.7 61.56 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.467 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -57.67 -48.95 78.09 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.851 -0.339 . . . . 0.0 110.091 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -69.28 -49.33 57.07 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.293 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -48.95 -44.94 41.19 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.209 0.528 . . . . 0.0 111.047 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 56.5 mt . . . . . 0 CA--C 1.511 -0.532 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.749 -179.059 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 120.698 0.285 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.7 mtt -71.51 -46.6 59.25 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.012 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.66 -35.01 12.88 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.986 0.422 . . . . 0.0 110.434 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.8 m -59.31 -38.09 79.4 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.581 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -60.96 -41.86 97.15 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.196 0.522 . . . . 0.0 110.422 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.407 HH21 ' CD1' ' A' ' 103' ' ' LEU . 38.4 ttm180 -60.99 -46.97 88.61 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.066 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -70.46 -27.68 64.42 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.429 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.93 -58.82 6.88 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 123.707 0.629 . . . . 0.0 111.211 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.83 -43.05 96.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.086 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.57 -57.79 9.48 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.811 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -31.93 72.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.677 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.7 mt -78.65 -36.9 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.83 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -57.91 -57.87 10.89 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.159 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -60.96 -54.98 38.29 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 123.914 0.759 . . . . 0.0 110.186 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.809 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.84 -57.4 3.29 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.279 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.553 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 24.7 tp -69.73 -59.25 3.07 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 124.221 0.951 . . . . 0.0 111.489 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -49.12 -58.29 5.22 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 122.19 0.995 . . . . 0.0 110.072 -176.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -72.58 24.44 0.06 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.801 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.809 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -116.24 -54.95 2.44 Favored 'General case' 0 CA--C 1.477 -1.831 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.4 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ALA . 61.2 m-20 6.82 50.1 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.559 0 O-C-N 125.663 1.852 . . . . 0.0 110.578 -178.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.678 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.61 -52.31 65.7 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.099 -173.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' ALA . 64.0 m-80 -90.3 18.67 5.81 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.92 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . 29.29 53.4 0.1 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.094 0.871 . . . . 0.0 109.833 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -95.68 -24.75 16.4 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.466 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 65.64 8.28 5.05 Favored 'General case' 0 CA--C 1.512 -0.491 0 O-C-N 124.095 0.872 . . . . 0.0 111.614 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.617 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -121.44 174.21 6.89 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.664 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 45' ' ' HIS . 6.7 mp -124.84 102.25 7.47 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.545 1.153 . . . . 0.0 112.083 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -104.13 142.84 33.78 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' ARG . 17.2 t80 -38.79 -48.96 1.58 Allowed 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 123.418 0.687 . . . . 0.0 112.543 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -47.67 -54.88 10.71 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.356 0.598 . . . . 0.0 111.447 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.41 -52.37 65.9 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.771 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.484 ' CE2' HD22 ' A' ' 55' ' ' LEU . 49.7 t-105 -69.16 -20.01 64.01 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.236 -178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' PHE . 5.6 tmm_? -81.78 -62.46 1.63 Allowed 'General case' 0 C--O 1.214 -0.775 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -70.67 -38.98 73.82 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.438 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -60.14 -54.39 46.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.894 -176.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.484 HD22 ' CE2' ' A' ' 51' ' ' TRP . 9.4 mp -76.18 -26.87 56.61 Favored 'General case' 0 CA--C 1.49 -1.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -176.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.74 -48.15 78.42 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 119.868 -0.733 . . . . 0.0 112.937 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.1 p -61.18 -6.34 2.01 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.895 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -89.07 18.38 5.0 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.74 7.95 77.47 Favored Glycine 0 C--O 1.223 -0.543 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -95.37 148.22 22.68 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.4 162.77 17.13 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.53 0.519 . . . . 0.0 109.622 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -71.3 -35.53 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.145 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.45 -46.29 20.12 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.271 0.558 . . . . 0.0 112.211 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -61.8 -39.13 90.66 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.411 HG13 ' HE1' ' A' ' 51' ' ' TRP . 2.8 tp -71.81 -26.67 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 CA-C-O 121.745 0.784 . . . . 0.0 111.614 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.62 -40.56 76.53 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.828 -176.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.0 -50.51 73.16 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.091 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.84 -27.81 28.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' LYS . 80.5 t80 -74.32 -62.16 1.61 Allowed 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.503 ' O ' ' OD1' ' A' ' 73' ' ' ASP . . . -40.83 -21.51 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 122.481 1.134 . . . . 0.0 111.098 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' PHE . 80.3 tttt -53.94 -11.95 0.5 Allowed 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.113 -0.992 . . . . 0.0 111.36 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -108.93 -7.59 15.39 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.503 ' OD1' ' O ' ' A' ' 70' ' ' ALA . 42.0 p30 -91.01 58.95 3.91 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.9 t -51.74 -46.91 39.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.803 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -73.45 -13.5 61.08 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.885 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.68 20.41 77.32 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -79.89 -15.33 57.56 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.322 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 ttm-85 80.17 0.49 2.02 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 124.704 1.253 . . . . 0.0 111.89 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.43 140.33 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.78 133.66 25.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -96.53 -168.34 1.71 Allowed 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.73 -16.6 0.13 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.751 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -64.42 -61.06 2.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.536 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -86.33 -22.43 26.72 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.045 0.538 . . . . 0.0 110.551 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -61.12 -36.48 79.84 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.566 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.0 ttp -58.22 -45.38 87.79 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.91 -39.4 85.29 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.283 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.0 ttp -58.83 -62.3 1.98 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.3 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.19 -48.72 54.01 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -39.46 67.15 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.369 0.604 . . . . 0.0 111.177 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.4 -42.23 79.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.62 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.53 -27.44 65.17 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.201 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -70.24 -42.78 71.78 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.437 0.461 . . . . 0.0 110.185 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.75 -39.84 90.01 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -61.35 -42.32 98.5 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.91 -49.84 75.82 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.808 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.9 p -68.9 -44.72 72.62 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.047 0.451 . . . . 0.0 110.449 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.83 -38.11 89.47 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.241 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.49 -44.91 89.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.471 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -53.63 -38.07 63.7 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.741 -178.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -68.56 -52.11 35.43 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.399 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -49.07 -40.28 31.08 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.09 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.407 ' CD1' HH21 ' A' ' 25' ' ' ARG . 69.6 mt . . . . . 0 CA--C 1.497 -1.081 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.3 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.9 t60 . . . . . 0 N--CA 1.471 0.617 0 CA-C-O 120.912 0.387 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.5 mmm -61.41 -49.45 76.81 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.945 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.45 -45.33 76.88 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.716 0.293 . . . . 0.0 110.451 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.6 t -55.8 -43.98 77.36 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.43 -44.63 95.57 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.768 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -66.14 -41.8 89.96 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.99 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.42 -39.5 94.65 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -57.65 -52.16 66.55 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.492 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.68 -47.91 84.57 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.78 -45.79 74.34 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.82 -36.74 64.98 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.927 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.5 mt -77.3 -38.88 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 122.565 0.346 . . . . 0.0 111.301 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.91 -57.34 13.07 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -62.0 -56.94 13.96 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.979 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.32 -56.32 3.59 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.638 -175.085 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 37.1 tp -67.37 -59.42 3.41 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 123.698 0.624 . . . . 0.0 111.335 178.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.41 -57.47 5.28 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 121.69 0.757 . . . . 0.0 110.16 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -78.73 25.26 0.27 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.418 -1.265 . . . . 0.0 109.71 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.681 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -109.55 -55.56 2.41 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.682 179.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' ALA . 15.0 p-10 4.46 51.07 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.618 0 O-C-N 125.683 1.865 . . . . 0.0 111.118 -177.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.17 -51.47 67.7 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.937 -174.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -85.64 -14.58 45.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.106 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 55.35 55.46 7.41 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.075 0.464 . . . . 0.0 110.599 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -102.29 -18.92 15.23 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.89 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 63.36 7.86 3.15 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.478 0.486 . . . . 0.0 111.778 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -122.66 138.17 54.68 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -90.04 100.49 13.3 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -95.92 137.09 35.49 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -44.47 -43.46 7.84 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -177.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -52.99 -55.57 22.56 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.45 -49.38 77.52 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -58.23 -59.63 5.02 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.843 0.354 . . . . 0.0 110.561 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -53.64 -54.17 41.57 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.979 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -62.69 -44.59 95.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.752 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -61.39 -54.12 47.82 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.287 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.12 -39.13 75.63 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.612 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -49.64 -47.82 49.66 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -175.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 60.8 m -60.7 -9.22 3.64 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -88.28 18.14 4.65 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.454 0.301 . . . . 0.0 110.66 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.9 10.91 77.89 Favored Glycine 0 N--CA 1.472 1.038 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -97.31 148.47 23.1 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.33 172.67 9.68 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.816 0.341 . . . . 0.0 110.132 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -75.95 -32.1 59.37 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.255 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.04 -43.52 24.06 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -60.69 -41.49 95.25 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 pp -69.4 -28.28 37.64 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.623 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -66.19 -43.67 86.14 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.82 76.15 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.935 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -72.73 -29.89 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.813 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -75.38 -63.35 1.3 Allowed 'General case' 0 C--N 1.346 0.43 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.11 -24.67 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -57.06 -10.84 1.26 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.786 1.234 . . . . 0.0 111.288 177.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -110.71 -9.38 14.51 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.785 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 78' ' ' ARG . 56.3 t0 -89.07 62.48 6.27 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.31 -45.0 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.415 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -70.33 -13.93 62.36 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.343 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.83 17.09 66.94 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.23 -15.07 32.1 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 119.664 -0.208 . . . . 0.0 110.508 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' H ' ' CG ' ' A' ' 73' ' ' ASP . 74.3 mtp180 67.99 41.03 2.15 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.803 0.69 . . . . 0.0 111.837 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.687 ' C ' HD22 ' A' ' 80' ' ' LEU . 13.6 p -146.28 119.33 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 79' ' ' VAL . 2.9 mm? -133.34 103.39 5.94 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.725 0.64 . . . . 0.0 110.249 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 21.3 p-10 -86.64 -168.79 2.37 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.379 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.39 -13.9 1.65 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.79 0.836 . . . . 0.0 112.824 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -65.19 -59.64 3.87 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.404 ' CD ' HD12 ' A' ' 80' ' ' LEU . 48.0 mt-10 -82.81 -19.86 36.87 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.402 0.681 . . . . 0.0 110.308 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.01 -36.04 69.94 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.825 0.345 . . . . 0.0 110.391 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.1 mtt -58.06 -44.91 87.74 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -57.36 -43.26 83.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.96 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 83.7 mtp -58.72 -61.46 2.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.743 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.53 -52.56 46.01 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.7 0.286 . . . . 0.0 111.049 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -54.1 -42.82 69.82 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.926 0.393 . . . . 0.0 111.364 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.19 -45.77 75.93 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.707 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.81 -32.52 73.86 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.999 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -65.89 -43.29 88.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.752 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.64 -44.8 88.87 Favored Glycine 0 N--CA 1.472 1.09 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -57.92 -42.36 84.61 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.564 0.221 . . . . 0.0 110.456 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.56 -48.13 83.13 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.5 m -62.2 -42.52 99.37 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.525 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -62.84 -39.51 94.57 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.573 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.2 mt -69.05 -41.79 77.17 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.051 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -57.31 -44.04 83.77 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.449 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -71.53 -52.65 17.12 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.428 0.455 . . . . 0.0 111.195 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -44.63 -37.5 3.67 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.333 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 70.0 mt . . . . . 0 N--CA 1.468 0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.769 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.0 mmt -62.09 -25.95 68.01 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.091 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.41 -37.33 62.41 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.389 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.0 p -64.47 -40.54 95.88 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.229 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.66 -43.47 84.99 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.312 0.577 . . . . 0.0 110.468 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -64.83 -39.06 92.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.91 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.09 -37.57 87.75 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.13 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.23 -50.55 73.17 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.332 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.0 mt -61.19 -48.29 89.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.67 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -31.23 64.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.354 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.85 -33.52 21.27 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.907 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -81.9 -35.55 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.877 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.17 -57.26 12.17 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.91 -59.07 5.66 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.477 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.749 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.09 -54.68 4.24 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-O 118.611 -0.709 . . . . 0.0 109.925 -175.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.495 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 2.2 tp -67.81 -59.91 2.93 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 124.15 0.906 . . . . 0.0 111.313 178.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.52 -56.42 7.13 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.585 0.707 . . . . 0.0 110.035 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.447 ' N ' ' ND1' ' A' ' 37' ' ' HIS . 2.2 m80 -78.59 27.48 0.21 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.175 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -114.15 -56.28 2.41 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 118.054 -0.974 . . . . 0.0 111.797 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 38' ' ' ALA . 15.9 p-10 6.92 51.18 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 O-C-N 125.55 1.781 . . . . 0.0 110.485 -177.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.83 -52.5 65.19 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.322 -175.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -81.05 -14.88 57.41 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.566 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 52.92 56.86 6.99 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.202 0.314 . . . . 0.0 110.944 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.1 p-10 -108.24 -15.5 14.47 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 64.84 8.18 4.42 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 46' ' ' LEU . 9.9 t-80 -122.92 136.88 55.02 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' N ' ' ND1' ' A' ' 45' ' ' HIS . 40.6 mt -92.81 102.68 15.07 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 123.793 0.683 . . . . 0.0 111.711 -178.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -102.03 142.03 33.96 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.5 t80 -38.43 -47.36 1.25 Allowed 'General case' 0 C--O 1.208 -1.116 0 O-C-N 124.464 1.102 . . . . 0.0 111.542 -177.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -49.29 -53.99 19.18 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.291 0.37 . . . . 0.0 111.337 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -59.77 -52.15 66.71 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.607 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -68.98 -20.27 64.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.153 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' PHE . 71.8 ttt-85 -81.33 -62.57 1.62 Allowed 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -70.41 -37.88 74.53 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.024 -174.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -59.51 -56.05 26.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.435 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.11 -33.24 69.97 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.058 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.86 -48.23 70.23 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.219 -0.593 . . . . 0.0 112.242 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.3 m -59.7 -10.02 3.29 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.501 0.501 . . . . 0.0 111.304 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -86.75 20.41 2.57 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 122.556 0.342 . . . . 0.0 110.868 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.28 12.86 78.04 Favored Glycine 0 N--CA 1.462 0.431 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -102.59 152.67 20.9 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.98 152.45 22.04 Favored 'General case' 0 C--O 1.224 -0.267 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -65.57 -32.33 73.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.52 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.09 -46.53 20.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.437 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.57 -40.06 78.11 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.378 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.9 mt -62.34 -22.9 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.709 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -63.29 -38.68 92.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.897 -177.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.87 80.41 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.031 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.93 -37.15 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.552 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -78.27 -61.94 1.84 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.693 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.77 -28.46 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.503 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -54.76 -10.69 0.49 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.359 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -112.03 -4.75 14.4 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.614 0.366 . . . . 0.0 111.883 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.483 ' CG ' ' H ' ' A' ' 78' ' ' ARG . 50.7 t0 -90.41 58.16 3.91 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.0 t -55.9 -46.44 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.228 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -69.92 -13.87 62.46 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.2 13.45 76.58 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.5 p30 -81.91 -14.49 56.09 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.74 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.483 ' H ' ' CG ' ' A' ' 73' ' ' ASP . 87.3 mtt-85 74.64 5.52 4.47 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 124.374 1.046 . . . . 0.0 111.74 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.8 m -144.18 134.94 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pp -142.79 133.66 25.51 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -98.33 -166.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 123.805 0.842 . . . . 0.0 109.776 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.33 -15.62 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.096 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -62.31 1.53 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.122 -178.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -86.51 -22.13 26.57 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.141 0.496 . . . . 0.0 111.377 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -62.29 -41.51 98.57 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.502 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.8 ttt -50.97 -47.05 61.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 111.489 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -61.1 -35.36 76.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.983 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.7 ttt -67.26 -59.51 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.497 0.498 . . . . 0.0 110.542 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.28 -38.89 63.5 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.176 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -45.44 84.2 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.545 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.87 -37.82 88.4 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 121.361 -0.136 . . . . 0.0 110.928 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.96 -34.55 78.01 Favored 'General case' 0 CA--C 1.506 -0.718 0 O-C-N 123.443 0.465 . . . . 0.0 110.672 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -68.19 -43.36 78.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.717 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.84 -29.26 67.51 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.82 -42.95 99.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.861 0.363 . . . . 0.0 110.495 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -59.55 -45.33 92.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.481 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.1 t -63.55 -43.43 97.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.519 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -61.64 -41.03 96.93 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.515 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.2 mt -65.66 -43.93 87.85 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.325 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -44.21 65.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.546 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -67.43 -51.99 45.03 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.553 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -49.9 -42.59 48.34 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.845 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 103' ' ' LEU . 4.4 mm? . . . . . 0 CA--C 1.492 -1.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.744 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 121.377 0.608 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -35.33 78.43 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.99 -34.35 42.15 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.657 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.7 t -63.32 -40.01 96.13 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.655 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -62.64 -42.91 99.86 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.34 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -63.76 -44.54 93.17 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.089 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -67.04 -31.78 72.54 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.011 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -58.81 -51.46 69.89 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.489 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.2 mm -63.7 -45.47 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.313 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.32 -29.06 60.8 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.432 ' O ' ' NH1' ' A' ' 58' ' ' ARG . 76.0 m-20 -83.88 -32.57 25.12 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.11 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -78.98 -33.95 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.329 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -61.37 -59.14 5.73 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.092 0.245 . . . . 0.0 111.46 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.79 -57.24 13.74 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 123.555 0.534 . . . . 0.0 109.911 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.802 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -44.14 -56.78 3.81 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.86 -175.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 21.4 tp -68.99 -59.48 3.01 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 124.471 1.107 . . . . 0.0 111.21 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.54 -59.53 3.43 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 121.424 0.63 . . . . 0.0 110.883 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -78.27 27.21 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.315 -1.312 . . . . 0.0 109.406 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.802 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -110.47 -56.74 2.31 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 117.846 -1.073 . . . . 0.0 111.696 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 6.45 48.33 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.748 0 O-C-N 126.031 2.082 . . . . 0.0 110.653 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.7 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.38 -51.4 67.72 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.331 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -83.96 -15.3 48.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.855 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 54.2 56.2 7.28 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.85 0.357 . . . . 0.0 110.771 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -104.12 -16.87 15.12 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.838 0.455 . . . . 0.0 110.166 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 65.29 9.53 5.73 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.718 0.636 . . . . 0.0 112.071 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.561 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -120.29 174.85 6.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.0 mt -122.89 99.67 6.51 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.937 0.773 . . . . 0.0 111.932 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -99.5 137.88 37.37 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -43.88 -47.29 8.29 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -177.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -53.48 -55.1 28.16 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.305 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.56 -51.58 68.82 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.442 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.541 ' HE1' HG23 ' A' ' 65' ' ' ILE . 30.6 t-105 -59.83 -60.08 4.41 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.595 0.236 . . . . 0.0 111.049 -178.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 59.3 ttp180 -53.08 -53.66 46.95 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.064 -176.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.79 -45.3 90.32 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 123.677 0.611 . . . . 0.0 112.307 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -60.41 -51.11 70.89 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.91 0.386 . . . . 0.0 110.988 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -24.22 51.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.177 -176.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 39.6 ttpt -60.64 -48.25 82.62 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 123.499 0.499 . . . . 0.0 112.096 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.5 p -62.92 -8.08 6.42 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.192 0.307 . . . . 0.0 111.413 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 30' ' ' ASP . 4.0 tpt180 -85.64 24.48 1.21 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.362 0.413 . . . . 0.0 111.647 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.14 10.23 84.09 Favored Glycine 0 N--CA 1.467 0.715 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -100.13 149.72 23.23 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.17 170.48 13.74 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.473 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.19 -36.57 54.81 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.2 -43.98 27.04 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -56.89 -42.39 79.76 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.541 HG23 ' HE1' ' A' ' 51' ' ' TRP . 95.7 mt -59.72 -23.52 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.624 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -64.57 -42.45 95.64 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 123.305 0.378 . . . . 0.0 110.548 -178.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.78 74.94 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.947 0.403 . . . . 0.0 111.099 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.13 -41.42 84.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.237 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -74.22 -61.44 1.86 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.297 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.1 -29.76 0.08 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.134 0.574 . . . . 0.0 112.032 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -56.51 -10.3 0.93 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.007 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -112.17 -6.73 14.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.111 0.564 . . . . 0.0 111.787 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -89.11 59.46 4.96 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.3 m -53.46 -43.63 53.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.361 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -73.72 -14.72 61.18 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.4 23.83 70.42 Favored Glycine 0 C--N 1.348 1.197 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.9 p30 -90.23 -14.4 33.47 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 119.472 -0.299 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 72.39 5.67 5.32 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 124.067 0.854 . . . . 0.0 111.264 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.25 127.62 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.22 135.16 30.45 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.746 0.818 . . . . 0.0 108.95 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -103.04 -168.18 1.48 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.809 0.844 . . . . 0.0 109.22 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.78 -17.09 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -67.62 -61.62 1.8 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -86.5 -21.83 26.74 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.466 0.706 . . . . 0.0 111.143 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -58.88 -33.75 70.85 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.007 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 39.1 ttm -59.44 -47.78 84.16 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -58.59 -38.61 78.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.596 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.5 ttt -67.09 -57.07 7.49 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.367 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.88 -34.1 65.2 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.93 -50.96 70.05 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.29 -36.68 84.48 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.15 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.67 -27.38 65.93 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.649 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -78.05 -49.21 14.43 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.831 0.348 . . . . 0.0 110.178 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.08 -17.74 66.03 Favored Glycine 0 N--CA 1.469 0.838 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -59.61 -39.81 85.48 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.96 0.409 . . . . 0.0 110.599 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -57.54 -53.22 60.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.761 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 96.6 p -55.66 -42.91 75.75 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.409 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.31 -49.3 77.57 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.562 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.4 mt -62.86 -42.1 99.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.039 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -53.62 -50.85 64.8 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.707 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.438 HD22 ' H ' ' A' ' 101' ' ' ASN . 3.0 m-80 -71.02 -39.47 72.33 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.122 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.91 -52.34 63.45 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.789 0.328 . . . . 0.0 111.03 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.474 0.74 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.252 -178.729 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.3 t60 . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 68.0 mtt -65.17 -32.4 74.07 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.289 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.23 -32.02 46.19 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.39 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.2 t -66.03 -43.35 87.86 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.701 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -65.27 -41.91 93.72 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.774 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -64.08 -44.73 91.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.032 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -68.22 -25.83 65.4 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.966 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -61.14 -48.7 80.4 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.854 -179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.21 -45.49 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.933 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.75 -53.95 51.83 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.89 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -57.51 -31.57 66.16 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.3 mt -82.38 -31.67 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.835 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -62.32 -58.65 6.92 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.949 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -63.49 -57.29 10.69 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.46 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.725 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.2 -56.24 3.55 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 119.101 -0.475 . . . . 0.0 110.452 -175.061 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.6 tp -68.47 -58.99 3.5 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 123.775 0.672 . . . . 0.0 111.021 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.92 -58.86 3.85 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.357 0.599 . . . . 0.0 111.015 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.485 ' N ' ' ND1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -76.68 24.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.601 -1.182 . . . . 0.0 110.048 179.109 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -112.83 -55.5 2.52 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.263 178.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' ALA . 65.8 m-20 15.29 49.86 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 124.903 1.377 . . . . 0.0 109.909 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -56.47 -52.82 63.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.957 -174.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -73.23 -13.93 61.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.27 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 44.85 55.3 6.13 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.052 0.453 . . . . 0.0 110.628 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -119.71 -4.32 10.25 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.004 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 66.7 8.21 5.75 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.622 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -121.08 170.66 9.32 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tp -124.82 101.77 7.24 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 124.076 0.86 . . . . 0.0 111.118 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -98.26 136.83 37.89 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -40.76 -45.96 2.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.725 0.64 . . . . 0.0 112.194 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -53.78 -55.11 29.32 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.714 0.634 . . . . 0.0 110.974 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -58.58 -53.29 60.0 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.875 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.5 ' HE1' ' CG2' ' A' ' 65' ' ' ILE . 26.0 t-105 -58.85 -59.68 5.05 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.869 0.366 . . . . 0.0 110.671 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.485 ' HE ' ' CG ' ' A' ' 62' ' ' ASP . 43.2 ttt-85 -49.08 -55.32 12.54 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.849 -177.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -64.41 -42.59 95.97 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.965 0.791 . . . . 0.0 111.59 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -60.18 -55.18 36.98 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.09 -176.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -27.75 64.23 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.778 -175.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -58.34 -50.53 73.31 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.1 p -55.74 -11.55 1.0 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.008 0.432 . . . . 0.0 112.135 -176.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -84.45 23.15 1.15 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.236 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.2 24.3 61.65 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.749 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -107.59 154.69 21.05 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.1 171.19 9.43 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.485 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 29.6 t0 -76.23 -32.16 58.76 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.023 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.03 -44.07 27.56 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.879 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.92 -36.98 78.18 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.162 0.506 . . . . 0.0 110.823 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.5 ' CG2' ' HE1' ' A' ' 51' ' ' TRP . 97.5 mt -71.97 -38.41 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.326 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -55.3 -39.83 70.36 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.693 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.45 -46.3 89.14 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.773 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.8 t -61.84 -50.99 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.703 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -62.45 -54.71 36.11 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 123.272 0.357 . . . . 0.0 110.078 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.94 -43.12 2.02 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.277 0.56 . . . . 0.0 110.352 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -49.69 -12.44 0.07 Allowed 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -115.86 -0.1 12.97 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.627 0.771 . . . . 0.0 111.717 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -84.79 57.7 4.54 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.553 0.216 . . . . 0.0 110.576 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 75' ' ' ASP . 29.2 m -46.54 -47.29 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 74' ' ' VAL . 7.3 p30 -115.17 -16.0 11.6 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.68 35.89 76.08 Favored Glycine 0 C--N 1.341 0.817 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -69.21 -1.29 7.57 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 72.53 26.4 2.53 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.283 0.633 . . . . 0.0 111.542 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 79' ' ' VAL . 14.7 p -147.04 118.97 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 177.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.81 140.67 47.82 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.96 151.66 31.49 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.57 85.62 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.357 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -74.1 -32.91 63.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.318 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -56.56 -38.46 71.96 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -59.78 -41.85 92.03 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.686 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.8 ttt -59.99 -50.97 71.66 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.84 -43.39 81.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.948 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 91' ' ' ASP . 35.6 ttm -58.45 -62.44 1.85 Allowed 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.96 -44.68 7.35 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.196 0.522 . . . . 0.0 111.202 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -65.31 -36.47 84.15 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.809 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' MET . 22.1 t70 -61.06 -49.2 78.32 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.077 0.465 . . . . 0.0 110.243 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mp -53.22 -57.92 8.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.513 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.62 -48.91 68.0 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.271 0.557 . . . . 0.0 109.938 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -47.3 -40.08 14.49 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.895 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.71 -35.08 27.03 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.617 0.367 . . . . 0.0 110.08 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.93 -40.8 73.66 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.939 0.4 . . . . 0.0 110.163 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.0 t -62.01 -41.7 98.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.666 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.83 -43.19 98.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.408 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mp -67.66 -43.07 81.12 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.757 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -53.2 -47.34 69.0 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.565 0.221 . . . . 0.0 110.595 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -69.37 -50.9 41.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.717 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -53.12 -47.46 68.64 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.221 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 C--N 1.347 0.494 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.325 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 120.847 0.356 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.2 mmt -61.81 -61.36 2.56 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.587 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.64 75.65 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.729 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.7 p -55.9 -41.81 75.07 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.059 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -57.39 -45.78 84.13 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.355 0.597 . . . . 0.0 110.677 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -64.98 -38.91 92.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.316 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.4 -40.11 95.43 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.276 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HZ2' ' CD2' ' A' ' 60' ' ' HIS . 63.1 mmtt -60.42 -49.52 77.26 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.687 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.9 -49.41 84.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.58 -33.97 64.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -85.52 -33.95 21.66 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.122 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.0 mt -80.67 -39.15 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.09 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.68 -56.38 22.53 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.111 -177.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -62.4 -56.6 16.73 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.756 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -44.59 -53.72 6.84 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.037 -176.015 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 5.1 tp -69.77 -59.08 3.17 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.189 0.931 . . . . 0.0 111.299 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.35 -57.59 5.81 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.586 0.707 . . . . 0.0 110.229 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.406 ' ND1' ' O ' ' A' ' 37' ' ' HIS . 0.7 OUTLIER -76.26 25.47 0.13 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.085 178.103 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -112.95 -55.45 2.52 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.767 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' ALA . 17.2 p-10 6.16 49.5 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 O-C-N 125.601 1.813 . . . . 0.0 110.557 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.68 -52.0 66.98 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.433 -174.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -83.74 -15.09 49.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.536 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 56.9 55.16 6.4 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.014 0.435 . . . . 0.0 110.868 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.406 ' CG ' ' ND1' ' A' ' 45' ' ' HIS . 2.0 p30 -104.23 -20.31 13.83 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.778 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 66.98 8.98 6.53 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.183 0.302 . . . . 0.0 111.03 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.406 ' ND1' ' CG ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -121.73 171.67 8.7 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.4 mt -126.52 104.28 8.05 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.207 0.942 . . . . 0.0 112.377 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -102.82 142.16 34.41 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.17 -48.59 4.84 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -50.75 -56.12 13.5 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.903 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -52.27 62.87 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.013 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -58.41 -60.35 3.93 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.434 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 3.7 tmt_? -53.3 -51.7 61.47 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.609 -178.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.47 -45.31 87.95 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -59.33 -52.44 65.62 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.692 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.01 -24.69 55.28 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.571 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.3 tttm -59.14 -48.22 82.41 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.614 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.39 -8.96 10.23 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.206 -177.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -81.65 23.93 0.62 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.03 10.95 82.11 Favored Glycine 0 N--CA 1.467 0.718 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.454 ' N ' ' ND1' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -99.06 148.25 24.23 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.71 173.6 11.76 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -77.95 -41.06 37.48 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.096 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.73 -46.24 19.4 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -54.22 -45.26 72.22 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.097 0.475 . . . . 0.0 112.023 -176.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.4 tt -63.96 -22.51 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.468 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.9 -41.84 78.81 Favored 'General case' 0 C--O 1.222 -0.372 0 O-C-N 123.354 0.409 . . . . 0.0 110.809 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.35 -39.67 81.79 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.784 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.07 -45.08 80.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.178 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -72.91 -61.22 1.89 Allowed 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.239 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.18 -29.18 0.07 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.76 0.424 . . . . 0.0 111.651 -176.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -55.87 -10.89 0.85 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.872 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.18 -5.07 16.08 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.669 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.55 56.63 1.55 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 75' ' ' ASP . 34.6 m -54.44 -43.94 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.427 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 74' ' ' VAL . 65.3 m-20 -76.24 -14.67 60.13 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.979 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.43 9.32 42.94 Favored Glycine 0 C--N 1.343 0.952 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -75.52 -5.64 46.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 119.129 -0.462 . . . . 0.0 110.464 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 60.73 27.14 16.9 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.651 0.595 . . . . 0.0 111.638 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.537 ' C ' HD23 ' A' ' 80' ' ' LEU . 89.7 t -146.23 121.07 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 120.985 0.422 . . . . 0.0 110.197 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.593 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -139.98 109.66 6.32 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.126 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -99.23 -167.62 1.5 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.71 -16.84 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.129 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -65.85 -60.68 2.63 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.076 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -85.24 -21.93 28.87 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -56.27 -33.42 65.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 41.0 ttp -59.84 -46.5 89.05 Favored 'General case' 0 C--N 1.343 0.297 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -53.93 -43.0 69.43 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.484 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttp -65.12 -58.28 6.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.77 81.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.428 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -62.22 -36.47 82.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.736 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -86.56 -38.33 17.28 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.977 0.417 . . . . 0.0 110.158 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.07 -44.81 96.82 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.715 -176.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.52 -37.81 85.08 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.673 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.46 -45.53 77.61 Favored Glycine 0 C--N 1.343 0.919 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -54.8 -41.17 70.27 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -59.83 -49.64 76.91 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 m -63.92 -42.2 97.46 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -62.9 -38.47 91.07 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.593 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.09 -41.61 81.59 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -56.84 -43.55 81.21 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.739 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -71.22 -49.33 44.59 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.394 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -48.69 -42.26 34.28 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.195 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 CA--C 1.517 -0.317 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.642 179.665 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.905 0.383 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -58.93 -33.68 70.86 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.323 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.46 -40.43 37.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.366 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t -55.06 -41.13 71.09 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.676 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -63.53 -39.15 93.67 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.259 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.424 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 16.0 mmp_? -66.0 -40.63 91.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.913 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.66 -45.41 65.14 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.775 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -52.83 -56.9 12.41 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.482 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.9 -51.7 64.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.376 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.71 -30.77 61.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.402 0.439 . . . . 0.0 110.012 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -86.36 -32.51 20.94 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.2 mt -84.57 -38.43 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 O-C-N 123.63 0.581 . . . . 0.0 111.395 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -54.04 -57.5 10.8 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.753 0.658 . . . . 0.0 110.992 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.68 -54.69 35.51 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.762 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.794 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -40.18 -58.68 1.42 Allowed 'General case' 0 C--O 1.196 -1.734 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.943 -176.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 43.1 tp -67.72 -60.72 2.31 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 123.902 0.751 . . . . 0.0 111.958 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.06 -56.18 5.93 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 122.168 0.985 . . . . 0.0 109.31 -179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -78.09 27.55 0.19 Allowed 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.915 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.794 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -117.46 -55.42 2.31 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-O 117.848 -1.072 . . . . 0.0 111.797 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.525 ' C ' ' O ' ' A' ' 38' ' ' ALA . 68.3 m-20 4.91 52.93 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 124.904 1.378 . . . . 0.0 110.916 -176.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.742 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.46 -52.41 65.71 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.158 -175.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -78.2 -14.94 59.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.212 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 50.62 56.33 8.13 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 123.706 0.629 . . . . 0.0 110.986 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -106.5 -11.02 16.04 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.163 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 65.86 6.26 3.88 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.26 0.35 . . . . 0.0 111.178 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -121.43 134.4 55.09 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.439 ' N ' HD12 ' A' ' 46' ' ' LEU . 10.0 mp -86.98 107.93 18.61 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.452 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -103.95 135.56 45.24 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 125.171 1.544 . . . . 0.0 107.697 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 43.8 t80 -38.81 -47.35 1.39 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -45.38 -57.94 3.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 123.65 0.594 . . . . 0.0 112.026 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -54.0 -46.12 71.68 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.391 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.416 ' CE2' HD22 ' A' ' 55' ' ' LEU . 46.6 t-105 -70.94 -19.76 62.53 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' PHE . 18.2 ttm180 -81.69 -63.24 1.43 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -70.15 -38.57 75.51 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -176.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -57.86 -55.4 35.41 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 124.078 0.861 . . . . 0.0 112.819 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 55' ' ' LEU . 10.9 mp -71.93 -32.64 67.53 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.605 -177.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -54.47 -47.28 73.14 Favored 'General case' 0 C--N 1.312 -1.03 0 O-C-N 123.687 0.617 . . . . 0.0 112.089 -176.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 75.5 m -63.32 -10.25 15.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.135 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -84.98 22.03 1.48 Allowed 'General case' 0 C--O 1.243 0.717 0 O-C-N 123.749 0.656 . . . . 0.0 111.375 -179.117 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.86 8.25 84.54 Favored Glycine 0 N--CA 1.461 0.327 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -101.01 152.45 20.56 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.16 173.86 9.53 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.792 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.38 -32.97 49.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.259 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.7 -44.92 22.45 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.32 -42.88 78.36 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.1 pt -63.51 -21.7 29.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.696 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.18 -40.91 82.15 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.667 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.46 69.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.586 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.17 -28.78 42.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -81.12 -63.03 1.49 Allowed 'General case' 0 CA--C 1.504 -0.792 0 O-C-N 123.496 0.498 . . . . 0.0 110.23 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.06 -32.59 0.1 Allowed 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -52.95 -11.03 0.2 Allowed 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -109.03 -8.33 15.21 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 124.188 0.93 . . . . 0.0 112.095 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -89.72 59.44 4.66 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 75' ' ' ASP . 15.0 p -52.9 -46.24 52.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.264 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.535 ' N ' HG13 ' A' ' 74' ' ' VAL . 16.3 p30 -80.36 -14.77 58.07 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.99 12.11 70.92 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -81.19 -15.08 56.78 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.304 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 67.64 31.48 6.04 Favored 'General case' 0 C--O 1.243 0.727 0 O-C-N 124.33 1.019 . . . . 0.0 112.042 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -137.01 119.11 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mp -134.62 102.82 5.43 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 123.828 0.705 . . . . 0.0 111.537 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 26.2 t70 -100.51 -167.46 1.44 Allowed 'General case' 0 CA--C 1.507 -0.698 0 O-C-N 124.074 0.859 . . . . 0.0 108.993 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.508 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -44.91 -18.42 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 O-C-N 123.146 0.279 . . . . 0.0 111.427 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 81' ' ' ASP . 0.8 OUTLIER -68.27 -62.49 1.37 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.024 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -87.32 -23.02 24.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.47 0.481 . . . . 0.0 111.119 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -61.87 -42.44 99.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.97 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.9 mmt -56.28 -45.59 80.07 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.156 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.12 -39.09 85.05 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.623 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.1 ttp -66.25 -59.39 3.78 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.09 -32.35 54.61 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.817 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -64.3 -45.8 86.37 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.376 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -65.85 -35.24 80.12 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.704 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.18 -33.35 74.29 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.676 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -73.13 -44.16 60.59 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 124.044 0.84 . . . . 0.0 110.506 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.77 -50.21 43.65 Favored Glycine 0 N--CA 1.465 0.594 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -54.44 -38.11 65.93 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.644 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -64.16 -42.76 96.61 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.6 m -67.0 -32.15 73.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.107 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -64.78 -18.8 65.4 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.745 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.99 -38.51 91.45 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.011 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -55.42 -52.47 63.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.731 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -69.87 -43.91 70.86 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -61.13 -52.32 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.96 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.879 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 120.689 0.281 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 62.7 mtt -60.88 -34.25 74.34 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.014 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.85 -37.6 14.29 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.952 0.406 . . . . 0.0 110.448 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -59.82 -41.73 91.94 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.385 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.72 -41.01 97.06 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.991 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -60.95 -48.66 80.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.936 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -34.92 76.84 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.223 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -53.68 -58.24 7.92 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.353 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.1 -44.73 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.167 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.87 -32.45 53.22 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.861 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -84.62 -38.62 19.65 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.648 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.2 -41.09 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.035 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -59.4 -59.59 5.2 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.894 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.62 -57.6 12.03 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.394 0.434 . . . . 0.0 110.468 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.714 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.4 -60.05 1.88 Allowed 'General case' 0 C--O 1.209 -1.053 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.279 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 38.3 tp -67.2 -59.59 3.31 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.16 0.913 . . . . 0.0 111.565 178.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.24 -58.27 5.32 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.705 0.764 . . . . 0.0 109.771 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -76.15 23.44 0.14 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.506 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.754 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -106.88 -56.8 2.15 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.835 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 7.68 43.71 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.601 0 O-C-N 125.62 1.825 . . . . 0.0 111.175 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.754 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.78 -52.97 61.13 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.519 -174.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -82.72 -16.94 46.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.915 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 46.98 57.88 5.28 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.622 0.249 . . . . 0.0 111.178 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -106.0 -9.26 17.14 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.657 0.383 . . . . 0.0 110.702 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 64.06 5.34 2.38 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.868 0.867 . . . . 0.0 111.287 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.432 ' C ' HD22 ' A' ' 46' ' ' LEU . 61.3 m80 -127.03 137.02 52.99 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.432 HD22 ' C ' ' A' ' 45' ' ' HIS . 4.5 mm? -115.68 84.05 2.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.584 0.707 . . . . 0.0 111.495 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.18 156.89 23.91 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -46.4 -43.47 16.35 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 123.738 0.649 . . . . 0.0 112.195 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -54.06 -55.52 26.69 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.847 0.356 . . . . 0.0 111.254 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -57.26 -47.75 80.62 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.26 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -60.8 -56.93 15.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.149 0.5 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -50.78 -53.87 28.26 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.547 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.93 -42.21 94.88 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 123.794 0.684 . . . . 0.0 112.304 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.92 -56.06 25.6 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.221 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mp -72.31 -27.93 62.76 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.468 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.74 -49.53 70.59 Favored 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.856 -0.528 . . . . 0.0 112.285 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.585 ' C ' ' HE ' ' A' ' 58' ' ' ARG . 49.2 t -58.38 -8.59 1.22 Allowed 'General case' 0 CA--C 1.538 0.484 0 O-C-N 123.598 0.561 . . . . 0.0 112.119 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.585 ' HE ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -87.41 15.95 5.95 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 110.189 -0.301 . . . . 0.0 110.189 -179.302 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.12 15.99 73.21 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -101.92 145.48 29.18 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.17 159.63 15.2 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.616 ' O ' HG22 ' A' ' 65' ' ' ILE . 15.4 p-10 -68.53 -22.61 64.5 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.193 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.03 -47.44 28.99 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.401 0.62 . . . . 0.0 110.66 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -69.51 -24.98 63.83 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.197 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 62' ' ' ASP . 3.2 tp -51.63 -25.42 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-O 121.555 0.693 . . . . 0.0 111.696 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -65.2 -29.81 70.65 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.918 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.46 -54.34 17.6 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.66 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.8 m -65.47 -23.95 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.558 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -65.56 0.66 Allowed 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.971 0.415 . . . . 0.0 110.868 -177.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.74 -17.01 1.95 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.49 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -53.47 -57.38 10.87 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.285 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' VAL . 70.7 m-85 -102.83 -42.85 5.72 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.98 66.68 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.083 0.865 . . . . 0.0 110.762 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' TYR . 7.2 p -71.79 -10.55 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.381 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -70.03 -14.34 62.64 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.0 3.44 6.14 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -86.18 -0.63 56.16 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.682 0.393 . . . . 0.0 110.167 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 56.48 19.04 3.85 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.64 0.587 . . . . 0.0 110.455 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.03 150.48 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 122.004 0.907 . . . . 0.0 109.43 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.52 140.89 33.57 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -81.13 -172.99 4.05 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.207 0.527 . . . . 0.0 110.114 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.01 -35.9 74.04 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.926 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -71.55 -57.58 4.28 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.047 -178.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -51.18 -29.34 13.58 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -66.84 -45.71 77.36 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.61 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 39.8 ttm -52.69 -45.98 67.09 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.728 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.34 -36.0 82.71 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.337 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.1 ttt -60.5 -59.66 5.05 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.062 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.98 -39.09 65.72 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.811 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -60.31 -48.56 81.23 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.989 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -59.94 -35.2 74.42 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.842 0.353 . . . . 0.0 110.959 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.7 -41.85 82.92 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.585 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.72 -40.11 93.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.43 -49.81 48.64 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -45.59 -37.57 5.67 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.375 0.607 . . . . 0.0 110.451 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -60.42 -44.62 95.58 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.286 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.9 t -62.59 -40.81 98.07 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.412 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -64.73 -38.63 91.66 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.46 -42.86 91.86 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -50.24 -38.26 39.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -68.84 -47.98 64.64 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.651 178.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -52.37 -46.61 66.24 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 120.903 0.382 . . . . 0.0 110.285 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 77.7 mt . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.721 179.846 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.42 ' ND1' ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 55.1 mtt -67.09 -31.33 71.75 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.177 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -52.52 65.31 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.539 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.3 p -65.4 -43.96 88.99 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.299 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -61.22 -44.15 97.73 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.978 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -69.85 -45.18 68.35 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.231 0.539 . . . . 0.0 109.921 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.47 -16.32 64.15 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.438 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -54.19 -27.91 37.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.324 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.04 -24.49 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.805 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.93 -33.24 23.54 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.376 0.422 . . . . 0.0 110.98 -178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -85.11 -33.4 22.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.424 HG12 HD21 ' A' ' 55' ' ' LEU . 32.8 mt -72.01 -40.85 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.777 -178.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -56.12 -58.57 7.36 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.67 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -60.32 -54.16 49.05 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.964 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.741 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.03 -60.37 1.66 Allowed 'General case' 0 C--O 1.203 -1.393 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.077 -174.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 35.1 tp -66.94 -58.17 5.49 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.947 0.779 . . . . 0.0 111.962 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.19 -59.05 3.43 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.355 0.598 . . . . 0.0 110.187 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -79.94 22.97 0.47 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.613 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -104.11 -53.8 2.67 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 118.944 -0.551 . . . . 0.0 111.254 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -37.0 68.06 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 125.001 1.438 . . . . 0.0 112.314 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.723 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -82.88 -29.92 28.96 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.084 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -92.74 -17.23 24.46 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 123.859 0.724 . . . . 0.0 111.726 -176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 61.97 55.69 2.49 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -91.16 -23.89 20.12 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 61.72 4.42 1.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.437 1.095 . . . . 0.0 112.046 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.499 ' C ' HD22 ' A' ' 46' ' ' LEU . 8.5 t-80 -129.41 134.58 47.92 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.499 HD22 ' C ' ' A' ' 45' ' ' HIS . 4.5 mm? -113.82 104.33 12.08 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 124.214 0.946 . . . . 0.0 110.762 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -79.77 158.01 26.96 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 176.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -48.98 -44.21 40.75 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -52.61 -55.74 20.25 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.191 0.519 . . . . 0.0 111.209 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -54.41 -43.19 71.27 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.279 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.426 ' CZ2' HD12 ' A' ' 55' ' ' LEU . 60.8 t-105 -63.4 -55.42 24.54 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.816 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 53.4 ttp180 -50.32 -52.88 32.98 Favored 'General case' 0 C--O 1.203 -1.392 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.964 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -65.23 -42.83 93.03 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.88 -54.68 43.28 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.913 -178.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.488 HD22 ' CG ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -73.45 -31.94 64.08 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.621 -177.108 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 40.6 ttpt -53.34 -46.09 69.35 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -177.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.7 t -59.24 -6.64 0.98 Allowed 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -95.02 9.49 39.26 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.862 0.465 . . . . 0.0 111.018 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.35 -18.69 56.44 Favored Glycine 0 N--CA 1.468 0.827 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.488 ' CG ' HD22 ' A' ' 55' ' ' LEU . 2.0 m80 -64.44 136.02 56.67 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.42 159.68 15.14 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -56.79 -21.81 31.46 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.71 -44.8 20.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.463 -0.789 . . . . 0.0 113.066 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -66.21 -37.83 86.5 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.8 pt -59.02 -23.79 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.554 0.216 . . . . 0.0 111.397 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -59.13 -20.93 58.03 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.897 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.66 -39.92 23.65 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.019 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.82 -26.64 40.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.017 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -61.2 -65.38 0.7 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.394 0.616 . . . . 0.0 110.644 -178.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.41 -17.98 0.91 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.453 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.47 -57.62 10.62 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.212 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 74' ' ' VAL . 78.9 m-85 -111.49 -41.36 4.12 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.77 62.36 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.374 1.046 . . . . 0.0 110.281 -177.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' TYR . 65.6 t -74.2 -12.88 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 77' ' ' ASP . 65.3 m-20 -70.15 -13.57 62.26 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.37 2.62 4.38 Favored Glycine 0 C--N 1.345 1.062 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 75' ' ' ASP . 26.9 t0 -80.05 -3.18 47.46 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.938 0.399 . . . . 0.0 110.274 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 58.52 19.31 6.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.176 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.2 t -147.19 153.62 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -142.05 141.11 32.76 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.662 -1.153 . . . . 0.0 107.935 -179.823 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -85.12 -172.58 4.25 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.485 0.659 . . . . 0.0 110.42 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.55 78.02 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.75 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.35 -54.11 19.55 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.332 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -56.09 -27.99 55.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.892 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -68.87 -47.14 66.64 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.762 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.7 tpt -53.29 -44.14 68.06 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.086 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -69.26 -36.26 76.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.563 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.96 -62.27 1.98 Allowed 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.917 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.9 -46.06 60.5 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.736 0.647 . . . . 0.0 111.532 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -41.55 82.04 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.688 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.21 -31.69 67.58 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.448 0.642 . . . . 0.0 110.947 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.95 -37.33 75.82 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.684 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -63.35 -41.62 98.86 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.992 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.68 -26.74 70.73 Favored Glycine 0 C--N 1.338 0.655 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -68.01 -42.52 80.57 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.059 0.456 . . . . 0.0 110.807 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.46 -40.71 96.23 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.357 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.6 p -59.8 -44.88 93.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.29 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.75 -38.1 89.83 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.072 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.59 -48.5 77.12 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.429 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -56.75 -39.64 74.33 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.637 0.586 . . . . 0.0 110.307 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -67.97 -59.24 3.42 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.727 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -54.45 -41.57 69.6 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.235 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 120.973 0.416 . . . . 0.0 110.024 -179.158 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.6 t60 . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.5 mmt -64.65 -61.01 2.46 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.384 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.83 -44.63 78.12 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.488 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.2 t -58.15 -43.12 87.19 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.698 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.34 -41.94 94.64 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.42 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HE ' ' HZ1' ' A' ' 96' ' ' LYS . 79.8 ttt180 -67.15 -40.08 86.62 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.147 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -59.1 -37.82 78.05 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.612 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -59.23 -48.29 82.16 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.0 mt -56.72 -52.19 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.78 76.71 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.928 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -65.84 -30.95 71.65 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.287 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.4 mt -83.62 -33.86 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.071 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -57.24 -58.41 8.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.69 -55.55 29.17 Favored 'General case' 0 CA--C 1.513 -0.447 0 O-C-N 123.766 0.666 . . . . 0.0 110.566 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.722 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.97 -59.7 2.17 Favored 'General case' 0 C--O 1.201 -1.481 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.887 -175.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.4 tp -67.09 -59.49 3.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.572 0.545 . . . . 0.0 111.402 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.06 -57.12 7.11 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 121.711 0.767 . . . . 0.0 110.496 -175.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -77.55 25.22 0.19 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.94 -1.482 . . . . 0.0 110.157 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -115.25 -55.63 2.44 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.363 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER 10.01 52.66 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.534 0 O-C-N 125.471 1.732 . . . . 0.0 109.877 -177.893 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.599 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.68 -51.81 68.19 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.844 -174.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -77.39 -14.85 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.308 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.9 55.0 9.17 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.829 0.347 . . . . 0.0 110.576 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -110.11 -7.53 14.9 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.785 0.434 . . . . 0.0 110.314 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 62.42 7.57 2.41 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.738 0.649 . . . . 0.0 111.129 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -120.42 134.31 55.29 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.5 tp -87.77 103.87 16.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 123.933 0.77 . . . . 0.0 111.484 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.54 139.35 37.32 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ARG . 27.5 t80 -42.46 -46.05 4.62 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 123.943 0.777 . . . . 0.0 112.591 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -48.0 -55.63 9.61 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.074 0.464 . . . . 0.0 111.395 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -57.37 -50.15 73.9 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.776 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.423 ' HE1' HG13 ' A' ' 65' ' ' ILE . 37.5 t-105 -67.87 -21.35 65.17 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.073 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' PHE . 61.9 ttt-85 -81.28 -62.43 1.66 Allowed 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -71.32 -37.63 71.74 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.631 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -60.89 -54.0 50.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.393 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 55' ' ' LEU . 9.4 mp -75.67 -27.78 58.44 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -177.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -57.33 -48.18 79.64 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.807 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.02 -8.43 3.25 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.158 0.286 . . . . 0.0 111.428 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -86.02 21.91 1.85 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.445 -178.893 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.04 12.31 79.69 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -99.94 147.74 25.24 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.3 159.41 21.91 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -70.72 -35.3 72.64 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.188 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.42 -43.87 26.24 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.981 0.419 . . . . 0.0 111.255 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.16 -36.6 77.91 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.289 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.423 HG13 ' HE1' ' A' ' 51' ' ' TRP . 1.7 tp -58.27 -23.73 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.663 -178.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -67.52 -39.22 85.09 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.107 -176.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.8 63.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.814 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.54 -33.65 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -78.24 -61.32 2.04 Favored 'General case' 0 C--O 1.225 -0.224 0 O-C-N 123.118 0.261 . . . . 0.0 110.522 -177.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.77 -32.05 0.13 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.181 0.592 . . . . 0.0 111.906 -175.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -57.17 -11.23 1.54 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.805 0.842 . . . . 0.0 112.002 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -110.95 -7.04 14.59 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.039 0.536 . . . . 0.0 111.287 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -93.53 58.66 2.79 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 75' ' ' ASP . 13.0 p -58.36 -45.6 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.244 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.46 ' N ' HG13 ' A' ' 74' ' ' VAL . 12.1 t70 -72.41 -14.45 61.7 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.772 -177.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.51 4.42 57.21 Favored Glycine 0 C--N 1.342 0.883 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -77.33 -16.8 58.75 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.371 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 69.02 25.23 5.96 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 124.484 1.115 . . . . 0.0 111.597 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.7 t -133.68 121.49 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.3 mt -135.71 101.92 4.92 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.616 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 48.3 t0 -97.32 -168.96 1.77 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.474 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -46.88 -16.47 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.579 0.752 . . . . 0.0 112.417 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -66.41 -60.11 3.06 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.654 0.596 . . . . 0.0 110.976 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -86.72 -21.53 26.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.71 0.804 . . . . 0.0 111.519 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -58.55 -39.49 80.39 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.675 -177.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.1 ptp -57.77 -48.64 79.08 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.717 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.74 -43.04 90.11 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.663 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -64.57 -59.49 4.23 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.325 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.44 -40.0 17.03 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.857 0.361 . . . . 0.0 111.652 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -73.14 -31.44 64.28 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.271 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.11 -42.67 98.95 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.432 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.14 -57.8 7.78 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.512 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.08 -44.76 79.26 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.57 -48.65 42.16 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -70.56 -34.99 72.85 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.431 ' HZ1' ' HE ' ' A' ' 25' ' ' ARG . 56.2 tttp -56.08 -40.48 73.68 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.74 0.305 . . . . 0.0 110.797 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.1 m -60.79 -43.73 97.73 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.588 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -62.26 -49.41 75.8 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.356 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.69 -42.66 73.8 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.357 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -57.3 -48.15 79.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.63 0.252 . . . . 0.0 110.543 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -67.39 -56.87 7.91 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -50.34 -39.37 46.06 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.408 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.258 -179.505 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 37.2 ttm -61.83 -35.18 77.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.494 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.63 -54.27 45.03 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.772 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -62.46 -41.64 98.9 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.333 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -60.29 -46.1 91.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.28 0.562 . . . . 0.0 110.736 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.3 mmt-85 -72.06 -22.75 61.33 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.596 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.9 -15.76 62.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.375 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -56.47 -31.78 64.35 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.851 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.3 -43.39 71.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.661 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.77 -36.54 64.98 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.882 0.373 . . . . 0.0 110.78 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -85.1 -37.09 20.67 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.729 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.7 mt -79.56 -40.42 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.3 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -54.8 -56.34 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.034 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.42 -51.92 65.62 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.05 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.788 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -41.94 -57.29 2.46 Favored 'General case' 0 C--O 1.201 -1.482 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.098 -176.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 34.4 tp -68.55 -59.98 2.75 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.075 0.86 . . . . 0.0 111.524 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.4 -58.39 4.21 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.825 0.821 . . . . 0.0 110.262 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -75.94 26.21 0.12 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.44 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.788 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -115.08 -55.61 2.45 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-O 117.804 -1.093 . . . . 0.0 112.195 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 38' ' ' ALA . 62.5 m-20 7.36 49.84 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.201 0 O-C-N 125.526 1.766 . . . . 0.0 110.57 -177.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.713 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.19 -52.79 64.19 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.774 -174.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -80.64 -14.06 58.49 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.832 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 54.38 55.75 7.72 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.166 0.291 . . . . 0.0 110.51 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -108.47 -17.98 13.85 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 68.85 10.4 7.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.414 0.446 . . . . 0.0 110.825 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 46' ' ' LEU . 55.7 t60 -116.89 162.27 18.02 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 7.3 mp -119.09 97.52 5.72 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.111 0.882 . . . . 0.0 111.381 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -99.39 140.82 33.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -36.72 -46.94 0.63 Allowed 'General case' 0 C--O 1.207 -1.163 0 O-C-N 124.354 1.034 . . . . 0.0 112.144 -179.54 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -47.75 -56.22 7.84 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.578 0.549 . . . . 0.0 111.523 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -58.64 -52.01 67.49 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.747 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -68.07 -21.23 64.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.177 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' PHE . 59.7 ttm-85 -81.74 -62.2 1.71 Allowed 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -69.13 -38.87 79.07 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.312 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.09 -56.14 25.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.665 -177.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.32 -36.92 80.02 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.73 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -54.07 -47.32 71.79 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -175.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -61.03 -12.3 11.23 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.194 0.309 . . . . 0.0 111.353 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -84.79 24.03 1.1 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.032 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.31 12.29 76.32 Favored Glycine 0 N--CA 1.461 0.342 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -102.74 152.07 21.66 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.75 172.49 12.17 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.57 -34.58 53.64 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.331 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.92 -42.71 32.23 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.765 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -54.77 -38.88 67.77 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.664 0.269 . . . . 0.0 111.65 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.62 -24.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.12 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.07 -42.34 99.64 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 123.347 0.405 . . . . 0.0 110.56 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.07 -53.85 52.08 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.779 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.57 -48.15 90.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.677 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -67.93 -54.89 15.25 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.678 -178.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.12 -45.15 2.69 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.237 0.542 . . . . 0.0 111.274 -178.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -52.57 -10.78 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.77 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -101.34 -41.63 6.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.476 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.37 114.1 0.58 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -54.14 9.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 123.531 0.519 . . . . 0.0 110.395 -177.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -115.15 6.7 15.17 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.668 0.387 . . . . 0.0 110.49 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.51 18.75 73.97 Favored Glycine 0 N--CA 1.47 0.912 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -75.49 -11.73 60.09 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.053 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 63.92 24.03 13.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 123.466 0.479 . . . . 0.0 111.964 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -145.24 119.57 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-O 121.001 0.429 . . . . 0.0 109.865 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -141.15 117.0 10.41 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.337 -179.396 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.13 -170.33 1.78 Allowed 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -38.59 -49.29 1.52 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 124.599 1.187 . . . . 0.0 110.776 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -44.08 -57.34 3.44 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.804 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -86.05 -33.37 21.02 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.305 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -63.05 -37.2 86.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.974 -177.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.8 ttt -49.97 -44.81 51.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.315 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.06 -30.5 59.76 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.6 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 19.3 ttt -68.69 -54.63 15.05 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.454 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.18 -33.96 42.98 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -64.22 -49.5 71.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.705 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.94 -41.05 83.11 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.13 -40.95 91.57 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.599 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.27 -43.04 74.7 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.081 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.7 -37.67 93.74 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -64.11 -42.47 96.87 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.122 0.486 . . . . 0.0 110.456 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -59.6 -43.45 93.73 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.059 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.9 t -61.92 -45.61 92.93 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.501 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -61.5 -41.82 97.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.794 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.4 tp -57.76 -51.85 67.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.337 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -47.77 -40.61 21.19 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.74 0.65 . . . . 0.0 110.604 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -80.14 -34.31 37.82 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.145 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.02 -52.91 61.68 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -176.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.473 0.687 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.893 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . -65.16 -102.0 0.01 OUTLIER Glycine 0 C--N 1.334 0.442 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.0 mm? 51.67 -88.64 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 120.646 0.26 . . . . 0.0 111.029 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.562 ' O ' HG13 ' A' ' 15' ' ' VAL . 9.2 p -165.65 115.0 0.81 Allowed Pre-proline 0 N--CA 1.441 -0.887 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.53 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.82 -37.74 1.09 Allowed 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.552 2.168 . . . . 0.0 112.071 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -165.24 144.47 6.62 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.277 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.87 -105.15 0.22 Allowed Glycine 0 CA--C 1.517 0.181 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 t 51.08 21.72 1.1 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.962 0.41 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.1 -57.1 11.72 Favored 'General case' 0 C--O 1.227 -0.082 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.212 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.8 mtp -65.93 -45.98 79.9 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.82 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.94 -48.7 60.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 m -50.99 -45.06 61.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.201 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -54.62 -41.03 69.51 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -66.48 -41.61 88.69 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.664 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.87 -41.55 99.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.27 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.75 -58.5 8.32 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.675 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.09 -50.61 79.12 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.686 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.17 63.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -85.5 -32.86 21.99 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.303 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -82.54 -38.12 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.97 -56.46 20.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.439 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ALA . 88.4 mt-10 -62.61 -59.92 4.25 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.611 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.838 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -39.74 -55.51 1.91 Allowed 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 119.029 -0.51 . . . . 0.0 110.646 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.525 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 tp -68.09 -61.09 2.02 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 123.577 0.548 . . . . 0.0 111.564 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.56 -55.89 4.78 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 121.25 0.547 . . . . 0.0 109.552 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 37' ' ' HIS . 1.6 m-70 -80.93 29.41 0.33 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.779 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.838 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -118.84 -56.07 2.14 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 119.355 -0.355 . . . . 0.0 111.378 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.605 ' C ' ' O ' ' A' ' 38' ' ' ALA . 59.3 m-20 4.47 54.9 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.46 0.648 . . . . 0.0 110.878 -176.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.775 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -57.63 -52.73 64.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.932 -176.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.492 ' O ' ' C ' ' A' ' 42' ' ' ALA . 12.3 t-20 -89.03 19.93 3.9 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.147 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . 28.99 53.08 0.08 Allowed 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.471 0.482 . . . . 0.0 110.145 -178.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -99.25 -24.56 14.8 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.711 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 68.03 7.64 5.96 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 123.456 0.473 . . . . 0.0 111.184 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.466 ' C ' HD12 ' A' ' 46' ' ' LEU . 7.0 m-70 -116.85 166.14 12.5 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.466 HD12 ' C ' ' A' ' 45' ' ' HIS . 8.7 mp -117.28 99.76 7.24 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.07 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -99.39 135.15 41.22 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -38.53 -49.16 1.48 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -49.31 -54.95 14.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.967 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -59.2 -49.84 76.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.138 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -61.47 -60.43 3.72 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -51.51 -52.97 42.36 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.749 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -63.14 -46.6 86.49 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.772 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.63 -54.66 44.32 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.374 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -33.72 76.29 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.4 -49.64 69.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.277 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 70.0 m -61.18 -14.32 24.36 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -82.17 22.03 0.85 Allowed 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.489 -177.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.71 12.0 72.97 Favored Glycine 0 N--CA 1.46 0.284 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -99.74 150.11 22.65 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.166 0.508 . . . . 0.0 109.735 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.07 176.63 9.08 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.313 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -78.29 -40.6 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.389 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.8 -42.32 41.05 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.755 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.07 -38.71 58.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.383 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.9 mt -69.44 -22.75 25.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.136 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -62.31 -47.9 82.22 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.267 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.25 94.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.646 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -64.92 -37.33 79.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.485 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -78.61 -58.36 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.702 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -38.73 -38.34 0.4 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.877 0.37 . . . . 0.0 111.812 -175.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -7.25 0.14 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.456 ' H ' ' C ' ' A' ' 70' ' ' ALA . 35.7 m-85 -107.12 -6.13 17.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.061 0.85 . . . . 0.0 111.431 -176.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -76.66 115.3 16.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.0 t -87.45 -51.03 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.723 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -116.76 2.79 12.94 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.54 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.12 15.16 76.54 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -68.78 -14.03 62.77 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.542 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 62.95 35.0 13.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.345 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 79' ' ' VAL . 12.0 p -147.63 120.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.034 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mp -134.73 106.15 6.8 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.832 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -93.34 -166.87 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.31 0.576 . . . . 0.0 110.014 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.52 -14.47 0.5 Allowed 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.117 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -64.4 -59.22 4.61 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.372 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -84.27 -18.67 35.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.418 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -56.87 -37.95 72.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.9 mtt -56.18 -47.18 78.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.453 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -56.12 -41.81 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 36.0 ttm -59.43 -62.5 1.83 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.53 71.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -62.04 -49.11 77.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.4 -39.14 88.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.902 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.31 -25.21 63.21 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.442 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -73.65 -45.61 51.63 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 123.58 0.55 . . . . 0.0 110.766 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.15 -52.76 41.59 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -54.87 -38.66 67.79 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.798 0.332 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.66 -44.75 92.86 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.128 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.3 t -58.94 -46.25 88.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.23 0.538 . . . . 0.0 110.896 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.49 -32.21 73.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.064 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mp -78.46 -46.18 20.36 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.102 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.494 ' O ' ' O ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -59.27 -26.2 64.74 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.683 -177.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -46.84 -64.25 0.82 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.271 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -80.89 -41.39 23.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.877 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.52 -62.08 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.953 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 100' ' ' ASN . . . -162.27 140.54 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.417 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.28 173.39 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.733 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.402 ' O ' HD13 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -170.18 -55.26 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.632 179.388 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.216 -0.686 0 CA-C-O 117.785 -1.102 . . . . 0.0 109.98 -179.38 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.79 78.2 1.91 Allowed Glycine 0 N--CA 1.474 1.227 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 mt -70.45 122.71 20.16 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.6 m -70.17 147.0 95.33 Favored Pre-proline 0 N--CA 1.436 -1.166 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.512 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.33 137.05 56.21 Favored 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 121.969 1.779 . . . . 0.0 111.842 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -84.21 170.48 13.71 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.62 10.07 0.03 OUTLIER Glycine 0 N--CA 1.464 0.541 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -64.56 -13.25 51.95 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.797 0.332 . . . . 0.0 110.639 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -62.45 -39.38 93.19 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.08 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.9 tpt -61.89 -40.97 97.24 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.409 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.63 88.61 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.127 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.6 t -62.63 -44.29 96.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.019 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.33 -45.6 92.48 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.619 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.56 HH21 ' NZ ' ' A' ' 96' ' ' LYS . 74.1 mtp180 -62.04 -31.49 71.9 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.848 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.98 -16.11 11.34 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.076 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 63.2 pttt -52.46 -32.58 40.36 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 121.359 0.6 . . . . 0.0 111.621 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.55 -46.14 97.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.342 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.149 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.47 -41.05 60.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.963 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -85.36 -42.4 14.59 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.516 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.91 -45.49 80.48 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 O-C-N 123.27 0.356 . . . . 0.0 111.296 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -53.42 -58.69 6.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 110.386 -176.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -60.92 -51.26 70.04 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.845 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.801 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.18 -60.38 1.69 Allowed 'General case' 0 C--O 1.195 -1.816 0 CA-C-O 117.592 -1.194 . . . . 0.0 109.692 -174.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 5.6 mt -68.17 -58.05 5.07 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.939 0.774 . . . . 0.0 111.813 178.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.91 -60.84 2.3 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.365 0.602 . . . . 0.0 109.724 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -77.54 23.59 0.22 Allowed 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.222 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -106.72 -57.17 2.09 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 117.54 -1.219 . . . . 0.0 111.03 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' ALA . 67.2 m-20 6.7 42.25 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.479 0 O-C-N 125.613 1.821 . . . . 0.0 111.752 -178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.797 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.08 -52.45 65.29 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.783 -174.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -81.39 -16.22 52.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.413 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 45.25 57.7 4.63 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.256 0.347 . . . . 0.0 110.837 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.0 p-10 -110.04 -8.51 14.81 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.524 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 66.7 6.41 4.5 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 124.153 0.908 . . . . 0.0 111.258 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -128.34 138.8 52.54 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.5 mt -119.58 104.51 10.36 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 123.802 0.689 . . . . 0.0 109.446 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -83.65 159.24 21.6 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.423 ' CE1' ' CE2' ' A' ' 69' ' ' PHE . 2.1 t80 -43.89 -44.38 6.98 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.65 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -52.75 -56.75 13.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.559 -178.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -55.48 -47.26 76.42 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.388 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -61.54 -58.83 6.56 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 38.6 ttm180 -49.23 -55.26 13.16 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.726 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.77 -42.79 90.39 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 123.988 0.805 . . . . 0.0 112.531 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -59.52 -54.4 47.05 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.776 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.47 -36.92 74.15 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.141 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 62.0 tttm -49.75 -47.73 50.62 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -176.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.4 m -53.5 -8.31 0.14 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.291 0.369 . . . . 0.0 111.671 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HE ' ' HA ' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -96.89 14.76 24.25 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.856 0.723 . . . . 0.0 111.776 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.36 -20.24 42.08 Favored Glycine 0 N--CA 1.475 1.292 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -59.4 133.65 56.29 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.76 162.91 14.67 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.646 ' O ' HG22 ' A' ' 65' ' ' ILE . 8.1 p-10 -68.29 -26.18 65.52 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.172 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.37 -46.0 43.39 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.979 0.419 . . . . 0.0 110.789 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -72.01 -23.17 61.36 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.335 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.646 HG22 ' O ' ' A' ' 62' ' ' ASP . 3.4 tp -54.2 -27.61 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.004 0.431 . . . . 0.0 111.381 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.26 -23.97 66.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.347 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.71 -47.65 21.26 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.463 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.0 t -63.61 -33.87 64.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.457 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CE2' ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -64.32 -65.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.77 -177.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.89 -18.29 4.73 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.184 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -53.59 -56.72 14.71 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 123.959 0.787 . . . . 0.0 109.7 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.713 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -103.36 -42.88 5.58 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.23 67.05 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.887 0.742 . . . . 0.0 109.88 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 72' ' ' TYR . 18.8 t -75.23 -12.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 -178.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 77' ' ' ASP . 50.5 m-20 -74.21 -15.04 61.02 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.89 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.31 -3.01 1.31 Allowed Glycine 0 N--CA 1.474 1.181 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 75' ' ' ASP . 36.7 p30 -74.4 -2.26 24.61 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.776 0.288 . . . . 0.0 110.281 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 56.71 15.44 2.18 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.598 1.186 . . . . 0.0 110.605 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.685 ' O ' HD22 ' A' ' 80' ' ' LEU . 91.8 t -139.18 139.26 40.07 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.041 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -141.04 142.77 34.16 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 124.469 1.106 . . . . 0.0 110.712 179.113 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -71.74 164.08 26.61 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 121.411 0.624 . . . . 0.0 110.198 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.85 -17.24 5.86 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.02 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.8 -27.13 68.04 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.253 0.549 . . . . 0.0 110.572 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.46 -25.17 64.86 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.554 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.3 -44.79 95.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.973 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 65.2 mtt -60.8 -51.24 70.19 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.628 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -60.76 -44.07 97.2 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.328 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.4 mtt -53.66 -63.28 1.2 Allowed 'General case' 0 N--CA 1.476 0.845 0 O-C-N 123.304 0.378 . . . . 0.0 110.818 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.84 -55.04 12.8 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.993 0.425 . . . . 0.0 111.501 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -62.96 -42.66 99.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.74 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.28 -44.93 94.92 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.77 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.35 -41.87 90.21 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.94 0.4 . . . . 0.0 110.031 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -48.13 59.53 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.89 -33.84 29.02 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -78.93 -33.49 45.38 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.56 ' NZ ' HH21 ' A' ' 25' ' ' ARG . 56.5 tttp -58.73 -30.78 67.73 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-O 120.842 0.353 . . . . 0.0 110.336 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.1 t -60.61 -42.46 96.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.587 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -60.8 -39.32 88.47 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.688 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.44 -38.09 56.0 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.859 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -52.35 -41.07 62.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.962 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -74.07 -47.15 38.51 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.259 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -47.75 -44.78 28.43 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.647 0.592 . . . . 0.0 110.642 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.9 mt -98.02 -9.16 26.49 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.09 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 106' ' ' LEU . . . 51.62 -172.49 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.482 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' ALA . 97.9 mt-10 22.25 -82.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 124.771 1.294 . . . . 0.0 111.313 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 104' ' ' ALA . 2.4 tt 84.85 85.84 0.02 OUTLIER 'General case' 0 C--N 1.352 0.678 0 O-C-N 124.788 1.305 . . . . 0.0 109.445 177.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 CA--C 1.543 0.69 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.162 179.591 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.441 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.58 86.83 0.04 OUTLIER Glycine 0 N--CA 1.47 0.934 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.67 144.78 55.33 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 p -164.62 62.8 0.99 Allowed Pre-proline 0 CA--C 1.544 0.744 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -73.25 128.21 12.7 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.18 1.253 . . . . 0.0 109.843 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -164.91 100.23 0.77 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.64 90.46 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.6 p -66.18 -173.0 0.17 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.8 t60 70.86 -43.59 0.56 Allowed 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.808 0.693 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.2 mtt -61.11 -48.26 82.49 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.51 -53.65 53.75 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.365 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.2 p -53.28 -41.94 66.05 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.585 0.231 . . . . 0.0 111.443 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -49.75 -32.44 13.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.954 0.407 . . . . 0.0 110.911 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -71.06 -38.75 72.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.529 0.681 . . . . 0.0 109.441 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.47 -31.72 72.96 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.804 -177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.8 -59.54 5.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.274 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 pt -60.35 -40.14 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.66 -58.18 7.64 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 120.864 0.364 . . . . 0.0 111.395 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -68.35 -39.06 82.0 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.131 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.5 mt -69.22 -43.49 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 123.101 0.251 . . . . 0.0 110.869 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -61.94 -58.52 7.6 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.61 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.71 -57.15 13.9 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 123.71 0.631 . . . . 0.0 110.331 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.733 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.58 -58.38 2.67 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.13 -175.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.41 -58.65 4.38 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.965 0.791 . . . . 0.0 112.232 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.3 -57.95 5.92 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.418 0.627 . . . . 0.0 110.068 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -78.56 24.54 0.28 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.862 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -109.16 -55.55 2.4 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.594 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 1.78 51.2 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.784 0 O-C-N 125.778 1.924 . . . . 0.0 111.092 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -66.08 -51.29 59.44 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.332 -174.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -77.87 -16.48 58.24 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.47 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 51.74 55.38 9.41 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.537 0.208 . . . . 0.0 110.905 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -99.6 -11.99 20.49 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.438 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 63.24 5.88 2.16 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.697 0.799 . . . . 0.0 111.192 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -116.12 173.07 6.77 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.7 mt -128.41 110.12 12.04 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.881 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -110.08 146.76 34.85 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' ARG . 8.8 t80 -41.31 -44.41 2.72 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 123.784 0.677 . . . . 0.0 111.43 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -48.58 -54.48 14.38 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.633 0.583 . . . . 0.0 111.135 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -59.75 -50.94 71.85 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.565 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -66.77 -23.72 66.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' PHE . 70.4 ttp85 -81.72 -61.97 1.77 Allowed 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.43 -36.31 73.91 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -64.53 -55.37 21.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.562 0.539 . . . . 0.0 112.395 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.17 -28.3 57.28 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.998 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 62.9 tttp -56.33 -46.05 80.07 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -177.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.4 m -63.61 -4.13 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -95.5 10.6 35.97 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.899 0.479 . . . . 0.0 110.826 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.39 -2.4 74.25 Favored Glycine 0 N--CA 1.473 1.126 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.429 ' N ' ' ND1' ' A' ' 60' ' ' HIS . 1.8 m80 -81.41 140.69 34.53 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.02 160.38 14.74 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.85 -30.42 70.59 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.136 0.493 . . . . 0.0 110.285 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.05 83.94 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.268 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -56.13 -22.42 28.32 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.3 mt -53.04 -31.12 17.0 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -61.24 -43.2 99.26 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.59 -53.66 26.35 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.86 -25.1 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -63.9 1.11 Allowed 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.651 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.44 -19.45 0.32 Allowed 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.724 0.773 . . . . 0.0 111.235 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -80.91 -37.31 29.83 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.684 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -115.21 -23.72 8.83 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.18 129.03 42.45 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 123.264 0.625 . . . . 0.0 110.912 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.623 HG23 ' H ' ' A' ' 75' ' ' ASP . 27.2 m -73.85 -60.44 2.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.367 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.623 ' H ' HG23 ' A' ' 74' ' ' VAL . 46.8 p-10 -116.8 18.3 14.87 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.187 0.995 . . . . 0.0 111.225 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.38 36.55 58.09 Favored Glycine 0 N--CA 1.478 1.489 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -70.99 5.03 2.22 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 51.93 22.84 1.9 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 79' ' ' VAL . 11.6 p -146.38 119.53 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mp -140.1 97.45 3.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.641 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -89.24 -168.29 2.13 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.59 -17.11 0.08 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 122.705 0.402 . . . . 0.0 111.868 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -62.94 1.19 Allowed 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.095 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -87.49 -24.59 24.05 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 120.987 0.422 . . . . 0.0 110.971 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -64.78 -40.52 95.39 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.062 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.1 ttt -46.99 -41.23 15.96 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.04 -36.06 80.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.528 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.5 ttt -60.2 -62.46 1.85 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.52 -42.84 55.54 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -63.32 -44.16 95.76 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.584 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -65.19 -41.96 94.08 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.8 0.333 . . . . 0.0 111.12 -178.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.44 -38.6 91.61 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.052 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -64.69 -42.94 94.97 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.618 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.51 -38.22 94.54 Favored Glycine 0 N--CA 1.467 0.73 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -42.72 96.55 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.48 -49.58 76.23 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.173 0.295 . . . . 0.0 110.412 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.3 m -62.36 -44.18 97.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.865 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.79 -38.18 89.62 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.478 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.1 tp -63.72 -43.92 95.12 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.962 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -51.19 -37.56 47.26 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.816 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -74.19 -47.23 36.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.822 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -51.68 -45.94 63.64 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.73 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.528 ' O ' ' O ' ' A' ' 104' ' ' ALA . 12.4 tp -172.29 64.06 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.274 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' A' ' 103' ' ' LEU . . . 23.9 -151.62 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 118.745 0.702 . . . . 0.0 111.305 177.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.41 ' H ' ' H ' ' A' ' 106' ' ' LEU . 13.3 pt-20 -168.77 -3.57 0.02 OUTLIER 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.41 ' H ' ' H ' ' A' ' 105' ' ' GLU . 1.2 tt -168.24 62.48 0.07 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 121.461 0.648 . . . . 0.0 111.04 -179.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 N--CA 1.472 0.643 0 CA-C-O 117.663 -1.161 . . . . 0.0 109.84 178.839 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.7 45.64 1.61 Allowed Glycine 0 N--CA 1.471 0.998 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.7 mt -64.08 -44.16 93.22 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.026 0.441 . . . . 0.0 110.327 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -71.19 128.13 90.7 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.68 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -54.83 150.72 35.83 Favored 'Trans proline' 0 N--CA 1.502 1.99 0 C-N-CA 121.98 1.787 . . . . 0.0 111.317 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -62.96 -37.41 86.99 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.626 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.71 -58.38 0.07 OUTLIER Glycine 0 N--CA 1.463 0.472 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.9 t -67.42 173.65 3.9 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -165.71 -83.09 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.117 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.0 mtt -65.42 -39.17 91.8 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.431 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.77 85.1 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -67.11 -44.05 80.93 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -72.5 -19.44 61.54 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.839 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -46.68 -35.54 6.15 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 123.725 0.641 . . . . 0.0 110.962 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.32 -47.48 14.45 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.54 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -62.92 -23.27 67.29 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.204 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.8 mm -58.89 -55.8 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.13 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.43 -20.25 40.75 Favored 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 123.672 0.607 . . . . 0.0 109.866 -177.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.73 -38.71 49.09 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -67.79 -23.97 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.647 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.548 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -82.08 -56.45 3.93 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 123.579 0.55 . . . . 0.0 111.971 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.19 -40.25 93.23 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.536 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.777 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.98 -58.17 2.94 Favored 'General case' 0 C--O 1.193 -1.869 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.423 -175.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.47 -58.66 4.78 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.209 0.943 . . . . 0.0 111.607 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.81 -56.49 8.54 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.572 0.701 . . . . 0.0 109.623 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -80.96 25.04 0.47 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.975 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -111.32 -56.55 2.36 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 118.058 -0.973 . . . . 0.0 111.2 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' ALA . 11.2 p30 7.4 49.85 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 O-C-N 125.494 1.746 . . . . 0.0 110.945 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.77 -50.81 70.85 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.239 -175.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -76.44 -16.84 59.59 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.761 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 41.2 55.18 3.32 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.417 0.448 . . . . 0.0 110.947 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -101.2 -9.61 21.13 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.273 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 74.41 4.05 4.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.336 1.054 . . . . 0.0 110.511 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.9 135.87 50.59 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.04 126.75 35.56 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -112.11 139.72 47.39 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -45.91 -44.65 14.77 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.341 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -51.49 -56.03 15.65 Favored 'General case' 0 C--N 1.341 0.214 0 O-C-N 123.454 0.471 . . . . 0.0 111.031 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -55.41 -46.62 76.63 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.495 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.428 ' HE1' HG23 ' A' ' 65' ' ' ILE . 60.0 t-105 -60.46 -60.02 4.48 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 121.249 0.547 . . . . 0.0 110.904 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -50.68 -53.59 29.93 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.947 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -66.05 -44.18 85.32 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 123.744 0.652 . . . . 0.0 112.158 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -59.6 -51.62 69.03 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.406 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.18 -33.92 75.34 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -53.25 -48.18 68.45 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.676 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.73 -15.82 33.26 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.014 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 17.85 0.6 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.51 14.13 80.53 Favored Glycine 0 N--CA 1.462 0.406 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.428 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -104.35 150.48 24.44 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.41 160.13 14.67 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -59.45 -43.26 93.19 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.55 -49.03 79.17 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.049 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -59.92 -39.67 86.26 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.701 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.428 HG23 ' HE1' ' A' ' 51' ' ' TRP . 94.9 mt -60.08 -23.45 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.638 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -57.73 -35.43 70.67 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.835 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.04 -40.88 62.54 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.141 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.52 -22.69 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.132 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -61.64 -64.25 1.0 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.1 0.476 . . . . 0.0 111.529 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.48 -16.82 2.56 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.144 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -52.51 -57.31 10.33 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.595 0.559 . . . . 0.0 110.441 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 74' ' ' VAL . 72.0 m-85 -99.02 -41.09 7.72 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.407 ' OD2' HD22 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -63.0 62.49 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.211 0.944 . . . . 0.0 110.238 -177.628 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' TYR . 54.4 t -60.09 -48.55 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -66.99 -12.9 61.17 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.529 ' C ' ' H ' ' A' ' 78' ' ' ARG . . . 47.26 18.65 0.54 Allowed Glycine 0 C--N 1.35 1.354 0 N-CA-C 112.728 -0.149 . . . . 0.0 112.728 177.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -69.75 14.8 0.09 Allowed 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.529 ' H ' ' C ' ' A' ' 76' ' ' GLY . 86.9 mtm180 54.41 10.06 0.3 Allowed 'General case' 0 C--N 1.347 0.486 0 C-N-CA 122.92 0.488 . . . . 0.0 111.771 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.6 t -147.28 132.72 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.662 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.712 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -141.38 141.45 33.79 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 106.039 -1.838 . . . . 0.0 106.039 178.302 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -82.84 172.68 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.36 0.6 . . . . 0.0 110.493 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.29 -15.15 1.43 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.275 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -67.62 -39.05 84.72 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.295 0.569 . . . . 0.0 111.051 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -67.46 -26.02 66.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.524 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.34 -42.95 92.36 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.3 tpt -59.49 -47.34 85.9 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -63.76 -39.24 93.78 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.857 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 24.9 ttt -54.67 -60.02 3.93 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.96 -45.37 15.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.32 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -59.76 -30.14 68.65 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.973 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -76.58 -50.76 13.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.445 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.09 -41.97 99.5 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -50.35 -30.47 12.26 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.127 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.12 -32.15 83.2 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.46 -41.65 98.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.033 0.444 . . . . 0.0 110.358 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -58.14 -42.77 86.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.285 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.2 t -61.59 -38.8 88.89 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.193 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.41 -44.18 97.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.355 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.62 -40.83 97.9 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.645 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -55.03 -48.16 73.77 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.46 -40.11 77.32 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.075 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -50.58 -49.81 55.32 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.789 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.8 tp -145.41 147.44 32.24 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.086 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -39.66 149.46 0.06 Allowed 'General case' 0 N--CA 1.474 0.757 0 O-C-N 124.221 0.951 . . . . 0.0 110.888 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -171.41 24.65 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.515 0.509 . . . . 0.0 110.063 -178.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.3 mt -83.97 4.54 29.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.15 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.721 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.14 -39.38 97.09 Favored Glycine 0 N--CA 1.467 0.733 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.9 -35.43 81.1 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 120.643 0.259 . . . . 0.0 110.499 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 p -160.79 103.62 1.3 Allowed Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.499 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -71.96 -15.28 29.43 Favored 'Trans proline' 0 N--CA 1.508 2.359 0 C-N-CA 121.735 1.623 . . . . 0.0 111.651 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -68.17 -21.39 64.9 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.641 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.32 -166.4 48.3 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.7 t -167.68 79.16 0.18 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.942 0.401 . . . . 0.0 110.445 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -167.46 13.02 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.61 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -37.51 87.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 O-C-N 123.216 0.322 . . . . 0.0 110.754 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.16 -56.84 17.03 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.692 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.3 p -62.78 -43.76 97.97 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.662 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.67 -42.82 97.85 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.448 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.4 mmp_? -73.56 -44.56 57.12 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.545 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -63.79 -15.58 59.07 Favored 'General case' 0 CA--C 1.51 -0.588 0 O-C-N 123.398 0.436 . . . . 0.0 110.199 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -52.72 -17.34 1.28 Allowed 'General case' 0 C--O 1.241 0.632 0 CA-C-O 121.401 0.62 . . . . 0.0 111.672 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.8 pt -63.28 -25.68 39.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.431 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.188 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.74 -56.46 13.66 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.46 0.648 . . . . 0.0 111.252 -177.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -67.9 -38.91 83.59 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.515 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.0 mt -70.0 -44.41 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 121.047 0.451 . . . . 0.0 111.653 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -56.53 -58.67 7.05 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.41 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -60.59 -54.92 39.6 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.226 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.89 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -41.82 -60.98 1.21 Allowed 'General case' 0 C--O 1.188 -2.142 0 O-C-N 123.975 0.797 . . . . 0.0 109.513 -175.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' N ' ' OE2' ' A' ' 54' ' ' GLU . 34.6 tp -65.65 -57.59 7.74 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.753 0.787 . . . . 0.0 112.166 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.24 -60.81 2.49 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.668 0.747 . . . . 0.0 111.116 -175.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -80.45 25.26 0.42 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.466 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -115.36 -55.92 2.41 Favored 'General case' 0 CA--C 1.49 -1.36 0 CA-C-O 117.026 -1.464 . . . . 0.0 111.493 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 38' ' ' ALA . 57.1 m-20 5.83 51.83 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 125.56 1.788 . . . . 0.0 111.126 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.682 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.98 -52.69 62.02 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.054 -175.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -76.41 -17.04 59.56 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 124.024 0.828 . . . . 0.0 110.438 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 49.05 56.75 7.31 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.282 0.364 . . . . 0.0 111.806 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 p30 -103.7 -9.71 18.92 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.2 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 64.07 6.47 2.9 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 124.267 0.98 . . . . 0.0 111.384 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.405 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 80.1 m80 -127.63 137.42 52.53 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 tp -96.12 122.48 39.0 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.422 1.076 . . . . 0.0 111.407 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -111.34 143.56 41.95 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -46.05 -47.58 16.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.62 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -47.05 -57.56 4.92 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.38 0.609 . . . . 0.0 111.207 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -56.23 -44.31 79.47 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.167 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -59.13 -59.93 4.68 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.053 0.454 . . . . 0.0 110.666 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 59.2 ttp180 -51.49 -56.66 12.15 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.603 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.11 -43.47 95.21 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.743 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.417 ' OE2' ' N ' ' A' ' 35' ' ' LEU . 39.4 tt0 -60.88 -54.1 49.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.277 0.561 . . . . 0.0 110.845 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.65 -28.85 61.03 Favored 'General case' 0 CA--C 1.485 -1.528 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.516 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.4 tttm -54.44 -48.26 71.91 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -176.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.7 p -62.04 -6.03 2.63 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.441 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -94.23 15.84 16.35 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.623 0.369 . . . . 0.0 110.811 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.19 -1.92 80.59 Favored Glycine 0 N--CA 1.468 0.777 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.559 ' N ' ' ND1' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -82.72 144.22 30.37 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.297 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.15 157.04 17.06 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -62.8 -31.78 72.83 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.838 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.09 -49.24 46.62 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.564 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -57.02 -32.06 65.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.481 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.528 ' O ' HG12 ' A' ' 68' ' ' VAL . 57.4 mt -56.56 -25.74 21.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 121.087 0.47 . . . . 0.0 110.355 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -55.14 -36.74 66.11 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.536 -177.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.45 -45.34 39.22 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.739 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 65' ' ' ILE . 2.2 p -61.32 -23.61 30.89 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.536 -177.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.87 -60.29 3.46 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.347 0.594 . . . . 0.0 109.791 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.52 -18.46 0.24 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.806 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -56.15 -57.77 10.79 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.079 -176.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.891 ' O ' ' N ' ' A' ' 74' ' ' VAL . 67.3 m-85 -99.44 -45.31 5.87 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-O 116.265 -1.826 . . . . 0.0 109.628 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' TYR . 17.1 p-10 7.07 36.75 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 125.763 1.915 . . . . 0.0 112.353 -178.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.891 ' N ' ' O ' ' A' ' 72' ' ' TYR . 2.8 p -41.98 -60.56 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -175.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.722 ' H ' HG13 ' A' ' 74' ' ' VAL . 48.3 t0 -103.49 -9.69 19.13 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 124.592 1.183 . . . . 0.0 109.583 178.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.6 29.3 0.14 Allowed Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' A' ' 79' ' ' VAL . 30.8 t70 -86.16 21.68 1.96 Allowed 'General case' 0 CA--C 1.508 -0.657 0 CA-C-O 121.057 0.456 . . . . 0.0 109.86 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.433 ' HA ' ' HE ' ' A' ' 78' ' ' ARG . 0.6 OUTLIER 60.53 0.21 0.31 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.657 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.749 ' C ' HD22 ' A' ' 80' ' ' LEU . 43.2 t -143.95 131.29 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.941 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 79' ' ' VAL . 3.3 mm? -137.43 94.47 2.93 Favored 'General case' 0 CA--C 1.49 -1.349 0 O-C-N 125.194 1.559 . . . . 0.0 109.353 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 22.6 t70 -62.32 -170.5 0.02 OUTLIER 'General case' 0 C--O 1.256 1.444 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.521 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -62.28 -13.36 27.55 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 124.67 1.188 . . . . 0.0 111.435 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -70.4 -52.77 19.99 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -82.89 -22.18 34.04 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -63.26 -46.54 86.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.23 0.538 . . . . 0.0 110.872 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.1 tpp -50.01 -41.21 46.76 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.71 0.767 . . . . 0.0 110.024 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.91 -37.8 85.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.33 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 64.3 mtt -59.95 -60.9 3.09 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.992 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.2 -38.4 18.17 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.283 0.364 . . . . 0.0 111.096 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -73.42 -32.04 64.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.156 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -66.54 -41.15 89.14 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.028 0.442 . . . . 0.0 111.458 -178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.5 mt -52.2 -55.09 23.39 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.262 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.36 -43.69 80.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.813 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.68 -43.05 86.37 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -68.92 -35.04 76.36 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.69 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.4 -30.68 70.7 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-O 121.071 0.462 . . . . 0.0 110.559 -178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.4 t -57.41 -36.57 71.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.765 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -64.36 -36.96 85.84 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.258 0.552 . . . . 0.0 110.499 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.51 -39.25 85.14 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.533 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -50.12 -42.44 50.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.642 0.735 . . . . 0.0 110.076 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -68.06 -48.35 65.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.949 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -49.97 -46.52 52.52 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.262 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 179.62 73.78 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.679 0.612 . . . . 0.0 109.753 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.27 -52.94 59.8 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 122.026 -0.421 . . . . 0.0 110.923 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 51.92 59.98 4.16 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.09 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.2 41.6 1.21 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.047 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 CA--C 1.539 0.558 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.299 179.66 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.48 45.95 0.07 OUTLIER Glycine 0 N--CA 1.47 0.933 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mp -71.17 -44.29 65.77 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.566 0.222 . . . . 0.0 110.827 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.3 m -141.13 65.65 22.93 Favored Pre-proline 0 N--CA 1.482 1.165 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -70.25 -32.65 16.16 Favored 'Trans proline' 0 N--CA 1.503 2.04 0 C-N-CA 122.113 1.875 . . . . 0.0 111.168 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -98.9 141.42 31.7 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.932 0.493 . . . . 0.0 110.148 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.98 51.29 0.05 OUTLIER Glycine 0 C--N 1.338 0.647 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -168.43 21.31 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.569 0.223 . . . . 0.0 110.827 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -62.35 -15.86 50.89 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.441 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -61.5 -39.78 92.2 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.75 -38.65 56.27 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.76 0.314 . . . . 0.0 110.395 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.6 m -63.82 -38.66 91.94 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.396 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -61.25 -42.57 98.85 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.492 0.663 . . . . 0.0 110.22 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.94 -42.39 94.71 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.43 0.633 . . . . 0.0 109.383 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.31 -25.19 64.1 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.603 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -62.42 -55.37 28.45 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.05 -40.69 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.432 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.73 -49.04 74.12 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -68.26 -36.54 79.6 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.792 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.6 mt -71.97 -37.57 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.176 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -62.36 -58.53 7.32 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.76 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -60.57 -58.06 10.09 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.331 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.677 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.81 -58.18 2.86 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.341 -175.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.74 -58.57 5.36 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 123.875 0.734 . . . . 0.0 111.796 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.57 -58.33 4.85 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.623 0.725 . . . . 0.0 110.254 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -79.42 23.84 0.38 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.689 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.748 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -105.82 -55.88 2.26 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.937 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 p30 2.89 47.46 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.619 0 O-C-N 125.827 1.954 . . . . 0.0 111.793 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.748 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -64.86 -51.6 61.15 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.85 -175.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.4 p-10 -77.28 -16.93 58.75 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.284 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.21 56.71 6.53 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.459 0.171 . . . . 0.0 111.181 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -104.17 -6.95 20.52 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 122.377 0.271 . . . . 0.0 110.424 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 61.14 6.25 1.26 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.754 0.822 . . . . 0.0 111.605 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.417 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 1.9 p80 -132.83 145.16 50.73 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.8 mt -124.44 113.14 17.76 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.947 0.779 . . . . 0.0 111.886 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -101.48 173.8 6.27 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.95 -51.09 17.79 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -52.83 -54.82 28.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 111.542 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 39.3 tp10 -60.21 -50.8 72.22 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.033 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -58.52 -59.57 5.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.845 0.355 . . . . 0.0 111.422 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 40.9 ttm180 -51.85 -55.8 17.81 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.936 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -63.18 -41.9 99.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -63.48 -54.09 41.81 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.295 0.372 . . . . 0.0 110.897 -178.233 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.86 -27.75 60.38 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.1 tttp -55.82 -47.39 77.27 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.176 -0.61 . . . . 0.0 112.435 -176.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.0 t -61.1 -3.0 0.71 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -92.85 9.48 35.14 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.783 0.433 . . . . 0.0 110.354 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.01 7.72 63.95 Favored Glycine 0 N--CA 1.473 1.108 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.41 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 1.7 m80 -88.59 138.02 31.8 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.7 148.9 21.8 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 65' ' ' ILE . 22.2 t0 -57.66 -33.32 68.19 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 110.55 -0.167 . . . . 0.0 110.55 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.17 -49.71 68.79 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.797 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.43 -27.74 68.07 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.188 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 68' ' ' VAL . 51.9 mt -63.6 -25.41 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -58.86 -29.47 66.99 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.23 -0.919 . . . . 0.0 110.068 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.86 -44.71 39.39 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.778 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 65' ' ' ILE . 3.2 m -67.33 -23.23 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.397 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -62.27 -65.84 0.63 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.795 0.331 . . . . 0.0 111.152 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.63 -17.22 1.19 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.154 0.582 . . . . 0.0 112.028 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -54.15 -56.72 15.45 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.362 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -115.64 2.63 13.78 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.132 0.573 . . . . 0.0 110.603 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -100.69 71.55 1.49 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.2 t -57.66 -54.09 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.641 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.22 -18.01 18.66 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.548 0.53 . . . . 0.0 109.676 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.546 ' C ' ' H ' ' A' ' 78' ' ' ARG . . . 36.71 66.49 0.48 Allowed Glycine 0 N--CA 1.475 1.25 0 O-C-N 123.959 0.787 . . . . 0.0 112.61 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.6 24.15 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.687 0.279 . . . . 0.0 110.66 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.546 ' H ' ' C ' ' A' ' 76' ' ' GLY . 14.0 tpp180 72.47 0.27 3.55 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.02 0.528 . . . . 0.0 110.294 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.51 139.55 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.4 mt -133.66 92.73 3.02 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -102.73 -167.21 1.36 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.38 -23.07 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.368 0 O-C-N 123.783 0.677 . . . . 0.0 112.502 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.67 -63.19 1.12 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.302 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -88.53 -24.19 22.98 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.177 0.591 . . . . 0.0 112.02 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -65.1 -43.25 92.68 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.59 -177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.2 ttt -55.05 -49.4 71.71 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.252 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -61.57 -40.91 96.42 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.252 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.7 ttp -62.54 -61.83 2.16 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.265 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.75 -44.85 38.99 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.634 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -58.26 -43.78 88.08 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.033 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.95 -43.57 87.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.972 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.44 -45.98 92.01 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.209 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.31 -40.35 93.66 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.64 -22.27 78.54 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -60.18 -40.61 90.58 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.964 0.411 . . . . 0.0 110.73 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -59.19 -44.28 92.2 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.715 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.3 m -59.4 -42.56 92.03 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.456 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.89 -44.69 94.08 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.109 0.481 . . . . 0.0 110.425 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.54 -36.01 70.84 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.402 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -54.16 -44.51 71.51 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.875 0.369 . . . . 0.0 110.238 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -69.66 -46.88 65.11 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.306 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -52.92 -46.66 68.17 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.205 0.526 . . . . 0.0 110.416 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.7 mt -84.39 -2.01 56.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.709 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 56.84 172.37 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.337 0.398 . . . . 0.0 110.546 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -69.69 -69.56 0.34 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.9 mt 49.6 -118.84 1.18 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.987 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.529 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.089 -1.604 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.89 102.06 0.01 OUTLIER Glycine 0 N--CA 1.468 0.827 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mp -78.66 1.29 23.35 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 116.714 0.257 . . . . 0.0 110.495 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.4 t -138.42 68.75 46.57 Favored Pre-proline 0 C--O 1.239 0.519 0 O-C-N 123.709 0.63 . . . . 0.0 109.655 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.4 -63.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.874 1.716 . . . . 0.0 111.391 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -67.43 -41.12 85.33 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.5 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.83 -62.95 3.27 Favored Glycine 0 N--CA 1.467 0.727 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.7 t 51.58 49.61 20.53 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.743 0.782 . . . . 0.0 110.585 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -59.99 -37.97 81.23 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.484 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.4 mmt -56.48 -48.92 76.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.292 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.49 -44.64 72.82 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.493 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 p -55.58 -42.29 74.53 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.128 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.84 -41.65 96.25 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.661 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -63.32 -45.15 92.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.873 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -70.33 -27.17 64.15 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.107 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -59.06 -53.94 52.68 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 123.83 0.706 . . . . 0.0 111.056 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.35 -40.6 88.97 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.094 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.73 -59.87 3.96 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.765 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.49 -27.63 67.72 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.387 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.1 mt -82.29 -37.15 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.641 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -51.89 -56.39 14.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.035 0.445 . . . . 0.0 110.928 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -63.17 -50.03 71.98 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.58 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.752 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -42.95 -60.08 1.75 Allowed 'General case' 0 C--O 1.205 -1.287 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.769 -173.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.3 pp -68.24 -56.44 8.68 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.768 0.667 . . . . 0.0 111.621 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.468 ' N ' HD12 ' A' ' 35' ' ' LEU . . . -48.05 -58.83 3.94 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.417 0.627 . . . . 0.0 109.989 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -79.07 25.03 0.3 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.202 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.821 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -110.19 -55.73 2.42 Favored 'General case' 0 CA--C 1.492 -1.251 0 CA-C-O 117.422 -1.275 . . . . 0.0 112.034 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' ALA . 16.8 p-10 0.8 48.49 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.586 0 O-C-N 125.77 1.919 . . . . 0.0 111.397 -177.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.821 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.6 -51.83 66.91 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.715 -174.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -87.22 -14.56 40.73 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.933 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 62.0 54.16 2.84 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.547 0.53 . . . . 0.0 111.051 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -100.65 -24.32 14.46 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 65.33 9.63 5.84 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 123.73 0.644 . . . . 0.0 111.41 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.516 ' CE1' ' H ' ' A' ' 80' ' ' LEU . 15.6 t-80 -121.66 136.91 54.93 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.3 mt -97.21 98.47 10.04 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -99.43 147.75 24.93 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -40.74 -48.77 3.05 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -51.55 -56.21 14.73 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.587 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.63 -52.01 66.96 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.36 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -59.68 -59.94 4.64 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.043 0.449 . . . . 0.0 111.221 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.529 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 3.7 tmt_? -53.81 -54.11 42.99 Favored 'General case' 0 C--O 1.207 -1.176 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.633 -177.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.67 -45.69 88.99 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -59.39 -53.41 58.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.895 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.54 -28.23 60.87 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.817 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 22.3 ttpp -57.67 -47.56 81.97 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.319 -178.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.15 -9.44 23.03 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 123.209 0.318 . . . . 0.0 111.156 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.46 23.6 0.62 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.36 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.7 81.26 Favored Glycine 0 N--CA 1.465 0.625 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.441 ' N ' ' ND1' ' A' ' 60' ' ' HIS . 0.4 OUTLIER -99.47 148.92 23.74 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.73 171.67 14.29 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.418 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 48.4 t0 -77.17 -39.62 48.34 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.623 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.55 -44.58 23.89 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.57 77.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.568 -177.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.3 tp -65.49 -24.78 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.815 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.667 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.99 -39.18 77.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.754 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.78 94.17 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.972 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.37 -48.78 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.532 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -70.62 -57.46 4.7 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.002 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.41 -36.54 0.56 Allowed 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.394 0.616 . . . . 0.0 111.727 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -56.31 -9.92 0.79 Allowed 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.252 -0.885 . . . . 0.0 113.121 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -109.29 -5.69 15.79 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.456 0.702 . . . . 0.0 111.475 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.44 119.14 21.33 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.5 t -80.53 -58.71 3.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.283 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -115.79 11.64 15.67 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.438 0.461 . . . . 0.0 110.813 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.32 19.44 72.43 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -70.46 -13.22 62.03 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 63.65 28.8 15.11 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.5 t -144.16 118.69 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.516 ' H ' ' CE1' ' A' ' 45' ' ' HIS . 43.8 mt -137.66 108.43 6.65 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -89.15 -167.97 2.04 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.375 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.72 -15.08 2.67 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.409 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -62.23 -59.16 5.44 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.185 0.516 . . . . 0.0 112.149 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -83.6 -20.86 32.95 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.367 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -56.92 -35.96 69.62 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.674 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 70.5 mtp -58.24 -45.26 88.09 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -57.81 -40.02 78.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.729 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 53.8 mtt -59.14 -61.03 2.94 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.484 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.19 73.83 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.992 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -54.16 -48.68 70.63 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.147 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.94 -41.93 77.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.285 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.3 mt -69.11 -35.87 76.89 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.491 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -69.54 -42.49 74.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.964 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.37 -45.92 35.99 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -59.21 -40.31 85.41 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.76 0.314 . . . . 0.0 110.644 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.7 -46.5 75.38 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.437 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 38.7 t -69.08 -23.97 64.09 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.326 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -84.77 -24.65 28.66 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.86 -44.38 69.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.367 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 101' ' ' ASN . 24.6 p30 -47.22 -28.2 1.8 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.662 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 78.0 m-20 -70.82 -47.46 59.3 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 121.704 0.764 . . . . 0.0 109.583 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -52.22 -42.78 63.84 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.496 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 103' ' ' LEU . 9.8 mp -80.35 3.59 20.65 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.347 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 101' ' ' ASN . . . -91.34 -57.12 2.89 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -55.0 152.64 7.29 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.88 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 tp 63.69 -179.14 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.111 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 . . . . . 0 C--O 1.216 -0.675 0 CA-C-O 117.798 -1.096 . . . . 0.0 110.337 179.121 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.33 19.42 70.5 Favored Glycine 0 N--CA 1.47 0.94 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 tp -63.27 -45.3 92.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.117 0.484 . . . . 0.0 110.289 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 t -63.99 119.78 58.16 Favored Pre-proline 0 CA--C 1.551 1.005 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.819 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -75.28 -30.3 6.92 Favored 'Trans proline' 0 N--CA 1.505 2.152 0 C-N-CA 122.121 1.881 . . . . 0.0 111.757 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -63.85 -63.8 1.07 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.025 0.441 . . . . 0.0 110.759 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.06 107.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.1 t -165.83 -174.85 3.19 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -151.28 -59.13 0.17 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.117 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.3 mtp -62.2 -47.2 85.51 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.11 0.481 . . . . 0.0 110.724 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.65 73.22 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.701 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.0 p -54.91 -45.78 74.77 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.067 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -62.06 -43.61 98.46 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.79 0.329 . . . . 0.0 111.02 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -65.8 -39.85 91.31 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.54 -40.13 95.03 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.693 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.82 -49.67 74.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.5 mt -58.54 -48.95 84.03 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.77 -30.99 64.17 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.465 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -85.74 -35.28 20.89 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.493 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.8 mt -82.21 -36.47 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.937 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -58.1 -57.46 12.75 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -62.12 -55.44 28.83 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 124.214 0.946 . . . . 0.0 110.236 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.756 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.82 -55.61 4.39 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.587 -176.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.522 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 3.4 tm? -70.34 -59.99 2.54 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 124.821 1.326 . . . . 0.0 111.141 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.43 -57.45 6.07 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 122.156 0.979 . . . . 0.0 110.402 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -76.11 27.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.14 -1.845 . . . . 0.0 110.149 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -113.57 -55.6 2.49 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.12 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' ALA . 61.6 m-20 8.74 49.21 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.741 0 O-C-N 125.809 1.943 . . . . 0.0 110.151 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.03 -51.96 67.4 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.306 -174.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -79.88 -14.91 58.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.388 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 52.67 55.74 8.62 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.748 0.308 . . . . 0.0 110.713 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -106.84 -15.12 14.81 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 68.59 8.24 6.57 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.618 0.574 . . . . 0.0 110.464 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.35 169.76 9.99 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mp -124.31 102.96 7.95 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.748 1.28 . . . . 0.0 111.24 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -102.91 141.58 35.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 52' ' ' ARG . 22.4 t80 -40.57 -47.6 2.73 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 124.549 1.156 . . . . 0.0 112.264 -177.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -50.81 -50.11 57.04 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.238 0.336 . . . . 0.0 111.495 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -59.45 -51.89 67.96 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.641 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -70.98 -18.55 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.092 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' PHE . 56.9 ttp180 -79.77 -62.46 1.68 Allowed 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -69.52 -37.09 77.0 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.895 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -60.14 -55.38 34.57 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.292 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.35 -32.57 68.68 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.565 -175.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -56.14 -48.2 76.71 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -60.47 -8.96 3.07 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.372 0.42 . . . . 0.0 111.43 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -85.67 21.22 1.9 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.694 0.398 . . . . 0.0 110.82 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.53 14.18 78.76 Favored Glycine 0 C--O 1.226 -0.397 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.442 ' N ' ' ND1' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -104.2 154.83 19.29 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.17 167.93 15.26 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -78.05 -33.4 51.0 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.747 0.655 . . . . 0.0 111.928 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.75 -44.8 26.55 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.595 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -58.33 -42.99 88.01 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.177 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.3 pt -68.68 -23.7 28.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.475 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -61.8 -39.33 91.36 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.121 0.263 . . . . 0.0 110.692 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.35 87.76 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.753 0.658 . . . . 0.0 110.561 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 t -71.17 -36.61 63.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.472 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -75.69 -62.62 1.52 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.147 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.83 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.178 0.513 . . . . 0.0 111.926 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -55.04 -11.04 0.59 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.21 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -109.17 -5.55 15.91 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.646 0.378 . . . . 0.0 111.406 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -92.87 57.74 2.87 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.33 -45.22 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -69.47 -13.71 62.49 Favored 'General case' 0 C--O 1.23 0.046 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.23 12.04 68.39 Favored Glycine 0 C--N 1.341 0.826 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -89.65 -15.03 33.58 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 117.087 0.443 . . . . 0.0 110.285 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 71.84 35.52 1.35 Allowed 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.626 0.579 . . . . 0.0 112.182 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.494 ' C ' HD23 ' A' ' 80' ' ' LEU . 2.4 m -146.31 124.33 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -140.89 109.52 5.97 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.545 -178.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -99.41 -168.12 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.87 -17.23 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.177 0.591 . . . . 0.0 112.058 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -66.26 -61.45 2.01 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.747 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -86.24 -21.8 27.22 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.225 0.536 . . . . 0.0 111.158 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -60.97 -45.5 94.53 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.839 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -51.2 -46.58 62.22 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.131 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -59.04 -41.33 87.58 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.187 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.1 ttt -65.44 -60.07 3.34 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.445 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.72 -39.71 74.41 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.242 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -60.55 -51.27 70.13 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -70.41 -37.09 74.39 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.76 -44.66 95.63 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.148 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.24 -37.66 88.1 Favored 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.882 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.3 -27.45 59.69 Favored Glycine 0 C--N 1.339 0.7 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.71 -42.63 99.74 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.763 0.316 . . . . 0.0 110.19 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.05 -42.64 98.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.675 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.0 m -61.99 -42.04 98.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.267 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -62.76 -39.38 93.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.27 -42.07 69.24 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.079 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -44.91 80.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 104' ' ' ALA . 25.7 t-20 -63.93 -59.55 4.37 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.22 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.482 ' C ' ' H ' ' A' ' 104' ' ' ALA . 90.7 mm-40 -44.3 -34.0 1.79 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.352 0.596 . . . . 0.0 110.575 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 tp -65.95 6.59 0.35 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.724 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 102' ' ' GLN . . . -59.82 -50.42 73.87 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -58.21 89.35 0.01 OUTLIER 'General case' 0 C--N 1.346 0.438 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.153 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.7 tt -160.15 99.56 1.35 Allowed 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 . . . . . 0 CA--C 1.539 0.522 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.924 178.861 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.063 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.41 83.73 0.06 OUTLIER Glycine 0 N--CA 1.466 0.685 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tt -161.78 -52.4 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.233 0.539 . . . . 0.0 109.636 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.8 t -52.21 118.96 13.46 Favored Pre-proline 0 CA--C 1.552 1.045 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.135 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -73.95 160.68 42.72 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.014 1.809 . . . . 0.0 110.847 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -71.67 -7.53 48.53 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.747 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.89 145.02 43.97 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.7 m -65.24 -78.57 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -168.06 -58.53 0.02 OUTLIER 'General case' 0 C--O 1.227 -0.103 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.131 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 38.4 ttm -61.34 -38.94 88.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.72 -33.69 23.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.474 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.2 p -63.75 -37.21 86.53 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.032 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -57.29 -43.32 83.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.438 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -63.55 -44.83 93.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.3 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -68.65 -29.12 67.54 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.247 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.14 -59.25 5.71 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.333 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 pt -63.2 -38.62 82.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.52 -30.53 65.22 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.582 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -85.06 -34.64 22.22 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.29 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -82.29 -36.94 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.686 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -58.21 -58.72 7.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.473 0.483 . . . . 0.0 111.194 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -61.71 -56.12 23.03 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.778 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.741 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -44.38 -58.74 2.76 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.09 -175.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.7 tp -65.32 -59.54 3.94 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 124.611 1.194 . . . . 0.0 111.726 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.92 -54.08 13.85 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.564 0.697 . . . . 0.0 109.861 -176.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -83.36 23.75 0.88 Allowed 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.672 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.789 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -107.3 -55.26 2.36 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.353 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' ALA . 19.1 p-10 1.71 50.04 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.019 0 O-C-N 125.351 1.657 . . . . 0.0 110.962 -177.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.789 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.91 -51.01 69.91 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.571 -174.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -91.87 -16.41 26.73 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.689 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 57.31 55.59 5.73 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 123.351 0.407 . . . . 0.0 111.79 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -99.06 -18.82 17.55 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 70.64 5.93 5.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.525 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -121.42 134.42 55.09 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 46' ' ' LEU . 4.2 mm? -85.18 114.79 22.56 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -104.79 134.66 47.55 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.419 -1.264 . . . . 0.0 108.246 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -44.88 -44.13 9.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.676 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -53.87 -52.73 59.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.932 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -62.43 -51.94 65.51 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.732 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.408 ' NE1' HD12 ' A' ' 55' ' ' LEU . 23.0 t-105 -60.45 -60.02 4.48 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.066 0.46 . . . . 0.0 110.981 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 7.1 tmm_? -50.87 -50.53 56.88 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.469 -177.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -66.1 -40.51 90.84 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.128 0.893 . . . . 0.0 111.699 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -60.91 -53.49 56.61 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.746 0.654 . . . . 0.0 111.218 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.408 HD12 ' NE1' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -74.89 -28.66 60.73 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.804 -176.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 88.2 tttt -55.42 -48.19 74.8 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -176.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.8 p -59.51 -4.15 0.57 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' A' ' 56' ' ' LYS . 33.0 mtp85 -100.32 13.2 35.19 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.498 0.499 . . . . 0.0 111.747 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.53 -20.78 25.37 Favored Glycine 0 N--CA 1.476 1.348 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -64.29 142.19 58.5 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.34 168.19 11.23 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -76.99 -33.64 57.57 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.8 0.688 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.82 -46.71 67.92 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -177.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.18 -40.66 96.58 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.8 pt -76.43 -22.38 15.33 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.832 0 O-C-N 123.189 0.306 . . . . 0.0 110.889 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -54.9 -40.73 70.13 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.454 0.471 . . . . 0.0 111.516 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.24 -31.9 66.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.994 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 t -84.74 -37.56 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -74.37 -36.79 63.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.86 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.72 -15.95 58.78 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 123.151 0.58 . . . . 0.0 111.768 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -56.62 -12.52 1.84 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -106.19 -2.08 22.89 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.336 0.254 . . . . 0.0 110.974 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.32 136.46 33.47 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -58.99 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.692 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -116.73 27.44 9.17 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.544 0.738 . . . . 0.0 110.662 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.15 39.75 98.06 Favored Glycine 0 C--N 1.343 0.945 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -74.17 -15.46 61.02 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.451 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 75.11 -0.22 3.36 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 124.502 1.126 . . . . 0.0 111.728 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.462 ' C ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -148.31 133.74 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.888 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -141.78 134.99 29.24 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.546 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -87.62 -168.06 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.329 0.585 . . . . 0.0 109.89 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.32 -14.9 0.11 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.285 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -68.32 -62.36 1.43 Allowed 'General case' 0 C--N 1.343 0.296 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.61 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.51 -21.97 26.66 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.898 0.479 . . . . 0.0 111.393 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -62.3 -38.9 91.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.493 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.5 ttm -53.51 -46.9 70.26 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -59.0 -39.57 82.23 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.258 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 28.2 ttt -64.69 -60.98 2.49 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.747 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.39 20.16 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.534 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -63.96 -47.39 80.63 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.293 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -61.24 -41.72 97.37 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.144 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.15 -38.31 87.81 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.976 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -72.22 -49.14 37.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.306 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.58 -17.73 60.44 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -58.33 -40.87 83.25 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.107 -0.547 . . . . 0.0 110.767 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.02 -56.13 25.75 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.931 0.396 . . . . 0.0 111.465 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 93.9 p -53.72 -41.92 67.54 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.326 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -59.86 -47.09 87.13 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.07 -32.7 61.56 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.467 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -57.67 -48.95 78.09 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.851 -0.339 . . . . 0.0 110.091 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' GLU . 63.7 m-80 -69.28 -49.33 57.07 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.293 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -48.95 -44.94 41.19 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.209 0.528 . . . . 0.0 111.047 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.98 4.68 3.96 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.749 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -130.63 -66.54 0.76 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 101' ' ' ASN . 41.1 tp10 -48.07 133.63 14.77 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.472 ' HB3' ' H ' ' A' ' 107' ' ' GLU . 3.7 mm? 38.39 -135.47 0.1 Allowed 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.332 1.02 . . . . 0.0 109.791 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.472 ' H ' ' HB3' ' A' ' 106' ' ' LEU . 71.7 mm-40 . . . . . 0 C--N 1.313 -0.983 0 CA-C-O 117.862 -1.066 . . . . 0.0 108.795 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.054 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.82 22.5 78.23 Favored Glycine 0 N--CA 1.471 1.017 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.8 mt -68.88 155.0 41.02 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.2 p -160.87 130.26 3.23 Favored Pre-proline 0 N--CA 1.443 -0.802 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.891 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.94 -37.77 57.0 Favored 'Trans proline' 0 N--CA 1.506 2.231 0 C-N-CA 122.242 1.961 . . . . 0.0 112.787 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -60.95 149.85 35.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.169 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.01 101.59 0.15 Allowed Glycine 0 C--N 1.33 0.244 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.4 t -62.08 -12.13 17.6 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.724 0.297 . . . . 0.0 110.666 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -58.18 -41.85 84.78 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.462 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.7 mtt -71.51 -46.6 59.25 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.012 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.66 -35.01 12.88 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.986 0.422 . . . . 0.0 110.434 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.8 m -59.31 -38.09 79.4 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.581 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -60.96 -41.86 97.15 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.196 0.522 . . . . 0.0 110.422 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.407 HH21 ' CD1' ' A' ' 103' ' ' LEU . 38.4 ttm180 -60.99 -46.97 88.61 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.066 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -70.46 -27.68 64.42 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.429 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.93 -58.82 6.88 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 123.707 0.629 . . . . 0.0 111.211 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.83 -43.05 96.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.086 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.57 -57.79 9.48 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.811 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -31.93 72.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.677 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.7 mt -78.65 -36.9 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.83 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -57.91 -57.87 10.89 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.159 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -60.96 -54.98 38.29 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 123.914 0.759 . . . . 0.0 110.186 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.809 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.84 -57.4 3.29 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.279 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.553 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 24.7 tp -69.73 -59.25 3.07 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 124.221 0.951 . . . . 0.0 111.489 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -49.12 -58.29 5.22 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 122.19 0.995 . . . . 0.0 110.072 -176.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -72.58 24.44 0.06 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.801 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.809 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -116.24 -54.95 2.44 Favored 'General case' 0 CA--C 1.477 -1.831 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.4 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ALA . 61.2 m-20 6.82 50.1 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.559 0 O-C-N 125.663 1.852 . . . . 0.0 110.578 -178.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.678 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.61 -52.31 65.7 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.099 -173.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' ALA . 64.0 m-80 -90.3 18.67 5.81 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.92 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . 29.29 53.4 0.1 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.094 0.871 . . . . 0.0 109.833 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -95.68 -24.75 16.4 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.466 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 65.64 8.28 5.05 Favored 'General case' 0 CA--C 1.512 -0.491 0 O-C-N 124.095 0.872 . . . . 0.0 111.614 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.617 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -121.44 174.21 6.89 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.664 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 45' ' ' HIS . 6.7 mp -124.84 102.25 7.47 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.545 1.153 . . . . 0.0 112.083 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -104.13 142.84 33.78 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' ARG . 17.2 t80 -38.79 -48.96 1.58 Allowed 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 123.418 0.687 . . . . 0.0 112.543 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -47.67 -54.88 10.71 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.356 0.598 . . . . 0.0 111.447 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.41 -52.37 65.9 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.771 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.484 ' CE2' HD22 ' A' ' 55' ' ' LEU . 49.7 t-105 -69.16 -20.01 64.01 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.236 -178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' PHE . 5.6 tmm_? -81.78 -62.46 1.63 Allowed 'General case' 0 C--O 1.214 -0.775 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -70.67 -38.98 73.82 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.438 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -60.14 -54.39 46.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.894 -176.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.484 HD22 ' CE2' ' A' ' 51' ' ' TRP . 9.4 mp -76.18 -26.87 56.61 Favored 'General case' 0 CA--C 1.49 -1.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -176.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.74 -48.15 78.42 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 119.868 -0.733 . . . . 0.0 112.937 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.1 p -61.18 -6.34 2.01 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.895 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -89.07 18.38 5.0 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.74 7.95 77.47 Favored Glycine 0 C--O 1.223 -0.543 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -95.37 148.22 22.68 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.4 162.77 17.13 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.53 0.519 . . . . 0.0 109.622 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -71.3 -35.53 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.145 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.45 -46.29 20.12 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.271 0.558 . . . . 0.0 112.211 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -61.8 -39.13 90.66 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.411 HG13 ' HE1' ' A' ' 51' ' ' TRP . 2.8 tp -71.81 -26.67 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 CA-C-O 121.745 0.784 . . . . 0.0 111.614 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.62 -40.56 76.53 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.828 -176.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.0 -50.51 73.16 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.091 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.84 -27.81 28.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' LYS . 80.5 t80 -74.32 -62.16 1.61 Allowed 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.503 ' O ' ' OD1' ' A' ' 73' ' ' ASP . . . -40.83 -21.51 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 122.481 1.134 . . . . 0.0 111.098 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' PHE . 80.3 tttt -53.94 -11.95 0.5 Allowed 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.113 -0.992 . . . . 0.0 111.36 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -108.93 -7.59 15.39 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.503 ' OD1' ' O ' ' A' ' 70' ' ' ALA . 42.0 p30 -91.01 58.95 3.91 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.9 t -51.74 -46.91 39.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.803 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -73.45 -13.5 61.08 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.885 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.68 20.41 77.32 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -79.89 -15.33 57.56 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.322 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 ttm-85 80.17 0.49 2.02 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 124.704 1.253 . . . . 0.0 111.89 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.43 140.33 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.78 133.66 25.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -96.53 -168.34 1.71 Allowed 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.73 -16.6 0.13 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.751 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -64.42 -61.06 2.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.536 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -86.33 -22.43 26.72 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.045 0.538 . . . . 0.0 110.551 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -61.12 -36.48 79.84 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.566 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.0 ttp -58.22 -45.38 87.79 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.91 -39.4 85.29 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.283 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.0 ttp -58.83 -62.3 1.98 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.3 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.19 -48.72 54.01 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -39.46 67.15 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.369 0.604 . . . . 0.0 111.177 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.4 -42.23 79.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.62 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.53 -27.44 65.17 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.201 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -70.24 -42.78 71.78 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.437 0.461 . . . . 0.0 110.185 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.75 -39.84 90.01 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -61.35 -42.32 98.5 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.91 -49.84 75.82 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.808 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.9 p -68.9 -44.72 72.62 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.047 0.451 . . . . 0.0 110.449 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.83 -38.11 89.47 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.241 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.49 -44.91 89.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.471 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -53.63 -38.07 63.7 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.741 -178.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -68.56 -52.11 35.43 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.399 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -49.07 -40.28 31.08 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.09 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.407 ' CD1' HH21 ' A' ' 25' ' ' ARG . 69.6 mt -97.09 -1.77 44.58 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.3 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 56.65 176.28 0.04 OUTLIER 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.099 0.476 . . . . 0.0 110.188 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -69.77 -68.93 0.38 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.769 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.3 tp 57.9 -120.1 1.21 Allowed 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.139 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 CA--C 1.537 0.466 0 CA-C-O 117.843 -1.075 . . . . 0.0 110.394 178.688 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.38 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.27 56.67 20.64 Favored Glycine 0 N--CA 1.469 0.868 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.2 mm? -70.01 129.99 40.96 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.5 m -67.03 146.31 99.05 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.318 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -72.86 3.26 4.57 Favored 'Trans proline' 0 N--CA 1.503 2.058 0 C-N-CA 122.083 1.856 . . . . 0.0 111.127 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 53.5 33.1 15.38 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.1 0.476 . . . . 0.0 110.653 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.68 72.25 0.13 Allowed Glycine 0 N--CA 1.465 0.622 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.0 m -162.9 64.29 0.19 Allowed 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.405 0.622 . . . . 0.0 109.909 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -61.63 -36.39 80.63 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.001 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.5 mmm -61.41 -49.45 76.81 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.945 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.45 -45.33 76.88 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.716 0.293 . . . . 0.0 110.451 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.6 t -55.8 -43.98 77.36 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.43 -44.63 95.57 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.768 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -66.14 -41.8 89.96 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.99 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.42 -39.5 94.65 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -57.65 -52.16 66.55 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.492 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.68 -47.91 84.57 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.78 -45.79 74.34 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.82 -36.74 64.98 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.927 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.5 mt -77.3 -38.88 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 122.565 0.346 . . . . 0.0 111.301 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.91 -57.34 13.07 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -62.0 -56.94 13.96 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.979 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.32 -56.32 3.59 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.638 -175.085 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 37.1 tp -67.37 -59.42 3.41 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 123.698 0.624 . . . . 0.0 111.335 178.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.41 -57.47 5.28 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 121.69 0.757 . . . . 0.0 110.16 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -78.73 25.26 0.27 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.418 -1.265 . . . . 0.0 109.71 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.681 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -109.55 -55.56 2.41 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.682 179.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' ALA . 15.0 p-10 4.46 51.07 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.618 0 O-C-N 125.683 1.865 . . . . 0.0 111.118 -177.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.17 -51.47 67.7 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.937 -174.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -85.64 -14.58 45.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.106 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 55.35 55.46 7.41 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.075 0.464 . . . . 0.0 110.599 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -102.29 -18.92 15.23 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.89 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 63.36 7.86 3.15 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.478 0.486 . . . . 0.0 111.778 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -122.66 138.17 54.68 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -90.04 100.49 13.3 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -95.92 137.09 35.49 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -44.47 -43.46 7.84 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -177.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -52.99 -55.57 22.56 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.45 -49.38 77.52 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -58.23 -59.63 5.02 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.843 0.354 . . . . 0.0 110.561 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -53.64 -54.17 41.57 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.979 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -62.69 -44.59 95.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.752 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -61.39 -54.12 47.82 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.287 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.12 -39.13 75.63 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.612 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -49.64 -47.82 49.66 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -175.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 60.8 m -60.7 -9.22 3.64 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -88.28 18.14 4.65 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.454 0.301 . . . . 0.0 110.66 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.9 10.91 77.89 Favored Glycine 0 N--CA 1.472 1.038 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -97.31 148.47 23.1 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.33 172.67 9.68 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.816 0.341 . . . . 0.0 110.132 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -75.95 -32.1 59.37 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.255 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.04 -43.52 24.06 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -60.69 -41.49 95.25 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 pp -69.4 -28.28 37.64 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.623 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -66.19 -43.67 86.14 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.82 76.15 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.935 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -72.73 -29.89 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.813 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -75.38 -63.35 1.3 Allowed 'General case' 0 C--N 1.346 0.43 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.11 -24.67 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -57.06 -10.84 1.26 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.786 1.234 . . . . 0.0 111.288 177.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -110.71 -9.38 14.51 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.785 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 78' ' ' ARG . 56.3 t0 -89.07 62.48 6.27 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.31 -45.0 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.415 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -70.33 -13.93 62.36 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.343 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.83 17.09 66.94 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.23 -15.07 32.1 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 119.664 -0.208 . . . . 0.0 110.508 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' H ' ' CG ' ' A' ' 73' ' ' ASP . 74.3 mtp180 67.99 41.03 2.15 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.803 0.69 . . . . 0.0 111.837 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.687 ' C ' HD22 ' A' ' 80' ' ' LEU . 13.6 p -146.28 119.33 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 79' ' ' VAL . 2.9 mm? -133.34 103.39 5.94 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.725 0.64 . . . . 0.0 110.249 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 21.3 p-10 -86.64 -168.79 2.37 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.379 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.39 -13.9 1.65 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.79 0.836 . . . . 0.0 112.824 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -65.19 -59.64 3.87 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' CD ' HD12 ' A' ' 80' ' ' LEU . 48.0 mt-10 -82.81 -19.86 36.87 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.402 0.681 . . . . 0.0 110.308 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.01 -36.04 69.94 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.825 0.345 . . . . 0.0 110.391 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.1 mtt -58.06 -44.91 87.74 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -57.36 -43.26 83.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.96 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 83.7 mtp -58.72 -61.46 2.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.743 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.53 -52.56 46.01 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.7 0.286 . . . . 0.0 111.049 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -54.1 -42.82 69.82 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.926 0.393 . . . . 0.0 111.364 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.19 -45.77 75.93 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.707 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.81 -32.52 73.86 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.999 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -65.89 -43.29 88.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.752 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.64 -44.8 88.87 Favored Glycine 0 N--CA 1.472 1.09 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -57.92 -42.36 84.61 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.564 0.221 . . . . 0.0 110.456 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.56 -48.13 83.13 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.5 m -62.2 -42.52 99.37 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.525 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -62.84 -39.51 94.57 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.573 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.2 mt -69.05 -41.79 77.17 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.051 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.414 ' HB3' HD21 ' A' ' 106' ' ' LEU . 92.7 m-20 -57.31 -44.04 83.77 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.449 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -71.53 -52.65 17.12 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.428 0.455 . . . . 0.0 111.195 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -44.63 -37.5 3.67 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.333 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 70.0 mt -107.11 -8.57 16.45 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.769 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 43.39 -157.73 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 O-C-N 123.314 0.384 . . . . 0.0 110.127 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 45.77 84.74 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' A' ' 100' ' ' ASN . 48.7 mt -88.91 49.57 1.81 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.287 179.031 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.24 170.69 42.91 Favored Glycine 0 N--CA 1.465 0.576 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.3 mm? -64.56 -41.3 96.4 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.212 0.529 . . . . 0.0 110.525 -179.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.13 149.86 43.97 Favored Pre-proline 0 N--CA 1.439 -1.003 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.423 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -48.28 142.72 16.23 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.116 1.877 . . . . 0.0 111.972 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -69.34 146.13 52.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.86 -49.97 0.02 OUTLIER Glycine 0 N--CA 1.463 0.476 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.5 m 51.64 27.94 4.38 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.889 0.376 . . . . 0.0 110.927 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.96 54.85 0.53 Allowed 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.914 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.0 mmt -62.09 -25.95 68.01 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.091 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.41 -37.33 62.41 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.389 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.0 p -64.47 -40.54 95.88 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.229 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.66 -43.47 84.99 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.312 0.577 . . . . 0.0 110.468 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -64.83 -39.06 92.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.91 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.09 -37.57 87.75 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.13 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.23 -50.55 73.17 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.332 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.0 mt -61.19 -48.29 89.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.67 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -31.23 64.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.354 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.85 -33.52 21.27 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.907 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -81.9 -35.55 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.877 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.17 -57.26 12.17 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.91 -59.07 5.66 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.477 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.749 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.09 -54.68 4.24 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-O 118.611 -0.709 . . . . 0.0 109.925 -175.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 2.2 tp -67.81 -59.91 2.93 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 124.15 0.906 . . . . 0.0 111.313 178.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.52 -56.42 7.13 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.585 0.707 . . . . 0.0 110.035 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.447 ' N ' ' ND1' ' A' ' 37' ' ' HIS . 2.2 m80 -78.59 27.48 0.21 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.175 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -114.15 -56.28 2.41 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 118.054 -0.974 . . . . 0.0 111.797 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 38' ' ' ALA . 15.9 p-10 6.92 51.18 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 O-C-N 125.55 1.781 . . . . 0.0 110.485 -177.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.83 -52.5 65.19 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.322 -175.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -81.05 -14.88 57.41 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.566 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 52.92 56.86 6.99 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.202 0.314 . . . . 0.0 110.944 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.1 p-10 -108.24 -15.5 14.47 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 64.84 8.18 4.42 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 46' ' ' LEU . 9.9 t-80 -122.92 136.88 55.02 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' N ' ' ND1' ' A' ' 45' ' ' HIS . 40.6 mt -92.81 102.68 15.07 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 123.793 0.683 . . . . 0.0 111.711 -178.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -102.03 142.03 33.96 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.5 t80 -38.43 -47.36 1.25 Allowed 'General case' 0 C--O 1.208 -1.116 0 O-C-N 124.464 1.102 . . . . 0.0 111.542 -177.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -49.29 -53.99 19.18 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.291 0.37 . . . . 0.0 111.337 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -59.77 -52.15 66.71 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.607 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -68.98 -20.27 64.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.153 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' PHE . 71.8 ttt-85 -81.33 -62.57 1.62 Allowed 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -70.41 -37.88 74.53 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.024 -174.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -59.51 -56.05 26.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.435 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.11 -33.24 69.97 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.058 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.86 -48.23 70.23 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.219 -0.593 . . . . 0.0 112.242 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.3 m -59.7 -10.02 3.29 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.501 0.501 . . . . 0.0 111.304 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -86.75 20.41 2.57 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 122.556 0.342 . . . . 0.0 110.868 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.28 12.86 78.04 Favored Glycine 0 N--CA 1.462 0.431 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -102.59 152.67 20.9 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.98 152.45 22.04 Favored 'General case' 0 C--O 1.224 -0.267 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -65.57 -32.33 73.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.52 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.09 -46.53 20.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.437 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.57 -40.06 78.11 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.378 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.9 mt -62.34 -22.9 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.709 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -63.29 -38.68 92.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.897 -177.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.87 80.41 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.031 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.93 -37.15 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.552 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -78.27 -61.94 1.84 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.693 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.77 -28.46 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.503 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -54.76 -10.69 0.49 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.359 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -112.03 -4.75 14.4 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.614 0.366 . . . . 0.0 111.883 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.483 ' CG ' ' H ' ' A' ' 78' ' ' ARG . 50.7 t0 -90.41 58.16 3.91 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.0 t -55.9 -46.44 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.228 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -69.92 -13.87 62.46 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.2 13.45 76.58 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.5 p30 -81.91 -14.49 56.09 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.74 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.483 ' H ' ' CG ' ' A' ' 73' ' ' ASP . 87.3 mtt-85 74.64 5.52 4.47 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 124.374 1.046 . . . . 0.0 111.74 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.8 m -144.18 134.94 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pp -142.79 133.66 25.51 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -98.33 -166.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 123.805 0.842 . . . . 0.0 109.776 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.33 -15.62 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.096 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -62.31 1.53 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.122 -178.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -86.51 -22.13 26.57 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.141 0.496 . . . . 0.0 111.377 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -62.29 -41.51 98.57 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.502 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.8 ttt -50.97 -47.05 61.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 111.489 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -61.1 -35.36 76.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.983 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.7 ttt -67.26 -59.51 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.497 0.498 . . . . 0.0 110.542 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.28 -38.89 63.5 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.176 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -45.44 84.2 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.545 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.87 -37.82 88.4 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 121.361 -0.136 . . . . 0.0 110.928 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.96 -34.55 78.01 Favored 'General case' 0 CA--C 1.506 -0.718 0 O-C-N 123.443 0.465 . . . . 0.0 110.672 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -68.19 -43.36 78.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.717 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.84 -29.26 67.51 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.82 -42.95 99.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.861 0.363 . . . . 0.0 110.495 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -59.55 -45.33 92.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.481 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.1 t -63.55 -43.43 97.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.519 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -61.64 -41.03 96.93 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.515 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.2 mt -65.66 -43.93 87.85 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.325 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -44.21 65.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.546 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -67.43 -51.99 45.03 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.553 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -49.9 -42.59 48.34 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.845 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 103' ' ' LEU . 4.4 mm? -89.86 -0.59 57.65 Favored 'General case' 0 CA--C 1.492 -1.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.744 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 60.58 165.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 123.963 0.79 . . . . 0.0 109.993 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 105' ' ' GLU . 5.4 mp0 -68.7 -74.38 0.13 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.872 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 tp 53.81 -106.63 0.32 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.308 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 . . . . . 0 CA--C 1.539 0.545 0 CA-C-O 118.36 -0.829 . . . . 0.0 109.837 179.714 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.28 32.04 0.04 OUTLIER Glycine 0 N--CA 1.472 1.099 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 mt -69.03 121.51 16.81 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.502 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 6.7 t -89.07 -38.27 0.43 Allowed Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 123.705 0.802 . . . . 0.0 109.653 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 15' ' ' VAL . 70.5 Cg_endo -83.16 92.89 0.86 Allowed 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 121.704 1.603 . . . . 0.0 110.968 -178.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -68.12 161.63 26.5 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.348 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.33 -115.63 7.68 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t 52.57 59.62 4.37 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.172 0.51 . . . . 0.0 111.053 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.1 64.29 0.07 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.2 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -35.33 78.43 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.99 -34.35 42.15 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.657 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.7 t -63.32 -40.01 96.13 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.655 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -62.64 -42.91 99.86 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.34 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -63.76 -44.54 93.17 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.089 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -67.04 -31.78 72.54 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.011 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -58.81 -51.46 69.89 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.489 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.2 mm -63.7 -45.47 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.313 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.32 -29.06 60.8 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.432 ' O ' ' NH1' ' A' ' 58' ' ' ARG . 76.0 m-20 -83.88 -32.57 25.12 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.11 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -78.98 -33.95 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.329 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -61.37 -59.14 5.73 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.092 0.245 . . . . 0.0 111.46 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.79 -57.24 13.74 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 123.555 0.534 . . . . 0.0 109.911 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.802 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -44.14 -56.78 3.81 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.86 -175.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 21.4 tp -68.99 -59.48 3.01 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 124.471 1.107 . . . . 0.0 111.21 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.54 -59.53 3.43 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 121.424 0.63 . . . . 0.0 110.883 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -78.27 27.21 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.315 -1.312 . . . . 0.0 109.406 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.802 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -110.47 -56.74 2.31 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 117.846 -1.073 . . . . 0.0 111.696 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 6.45 48.33 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.748 0 O-C-N 126.031 2.082 . . . . 0.0 110.653 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.7 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.38 -51.4 67.72 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.331 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -83.96 -15.3 48.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.855 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 54.2 56.2 7.28 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.85 0.357 . . . . 0.0 110.771 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -104.12 -16.87 15.12 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.838 0.455 . . . . 0.0 110.166 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 65.29 9.53 5.73 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.718 0.636 . . . . 0.0 112.071 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.561 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -120.29 174.85 6.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.0 mt -122.89 99.67 6.51 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.937 0.773 . . . . 0.0 111.932 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -99.5 137.88 37.37 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -43.88 -47.29 8.29 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -177.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -53.48 -55.1 28.16 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.305 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.56 -51.58 68.82 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.442 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.541 ' HE1' HG23 ' A' ' 65' ' ' ILE . 30.6 t-105 -59.83 -60.08 4.41 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.595 0.236 . . . . 0.0 111.049 -178.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 59.3 ttp180 -53.08 -53.66 46.95 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.064 -176.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.79 -45.3 90.32 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 123.677 0.611 . . . . 0.0 112.307 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -60.41 -51.11 70.89 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.91 0.386 . . . . 0.0 110.988 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -24.22 51.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.177 -176.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 39.6 ttpt -60.64 -48.25 82.62 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 123.499 0.499 . . . . 0.0 112.096 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.5 p -62.92 -8.08 6.42 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.192 0.307 . . . . 0.0 111.413 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 30' ' ' ASP . 4.0 tpt180 -85.64 24.48 1.21 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.362 0.413 . . . . 0.0 111.647 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.14 10.23 84.09 Favored Glycine 0 N--CA 1.467 0.715 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -100.13 149.72 23.23 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.17 170.48 13.74 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.473 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.19 -36.57 54.81 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.2 -43.98 27.04 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -56.89 -42.39 79.76 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.541 HG23 ' HE1' ' A' ' 51' ' ' TRP . 95.7 mt -59.72 -23.52 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.624 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -64.57 -42.45 95.64 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 123.305 0.378 . . . . 0.0 110.548 -178.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.78 74.94 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.947 0.403 . . . . 0.0 111.099 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.13 -41.42 84.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.237 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -74.22 -61.44 1.86 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.297 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.1 -29.76 0.08 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.134 0.574 . . . . 0.0 112.032 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -56.51 -10.3 0.93 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.007 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -112.17 -6.73 14.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.111 0.564 . . . . 0.0 111.787 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -89.11 59.46 4.96 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.3 m -53.46 -43.63 53.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.361 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -73.72 -14.72 61.18 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.4 23.83 70.42 Favored Glycine 0 C--N 1.348 1.197 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.9 p30 -90.23 -14.4 33.47 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 119.472 -0.299 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 72.39 5.67 5.32 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 124.067 0.854 . . . . 0.0 111.264 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.25 127.62 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.22 135.16 30.45 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.746 0.818 . . . . 0.0 108.95 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -103.04 -168.18 1.48 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.809 0.844 . . . . 0.0 109.22 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.78 -17.09 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -67.62 -61.62 1.8 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -86.5 -21.83 26.74 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.466 0.706 . . . . 0.0 111.143 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -58.88 -33.75 70.85 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.007 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 39.1 ttm -59.44 -47.78 84.16 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -58.59 -38.61 78.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.596 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.5 ttt -67.09 -57.07 7.49 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.367 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.88 -34.1 65.2 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.93 -50.96 70.05 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.29 -36.68 84.48 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.15 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.67 -27.38 65.93 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.649 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -78.05 -49.21 14.43 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.831 0.348 . . . . 0.0 110.178 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.08 -17.74 66.03 Favored Glycine 0 N--CA 1.469 0.838 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -59.61 -39.81 85.48 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.96 0.409 . . . . 0.0 110.599 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -57.54 -53.22 60.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.761 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 96.6 p -55.66 -42.91 75.75 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.409 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.31 -49.3 77.57 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.562 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.4 mt -62.86 -42.1 99.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.039 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -53.62 -50.85 64.8 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.707 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.438 HD22 ' H ' ' A' ' 101' ' ' ASN . 3.0 m-80 -71.02 -39.47 72.33 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.122 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.91 -52.34 63.45 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.789 0.328 . . . . 0.0 111.03 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.32 5.14 4.83 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.252 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -105.21 37.95 2.06 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -142.36 147.5 36.38 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 44.9 mt 54.76 -179.53 0.03 OUTLIER 'General case' 0 C--N 1.346 0.417 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.422 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 CA--C 1.545 0.765 0 CA-C-O 117.828 -1.082 . . . . 0.0 111.173 179.387 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 108.787 -1.725 . . . . 0.0 108.787 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.98 -90.2 0.08 OUTLIER Glycine 0 CA--C 1.521 0.42 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.0 mm? -76.49 111.71 12.25 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 122.196 0.998 . . . . 0.0 109.466 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.522 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 8.8 t -86.08 -40.07 0.58 Allowed Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 114.172 -1.377 . . . . 0.0 108.82 177.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 15' ' ' VAL . 77.2 Cg_exo -53.59 -29.72 51.64 Favored 'Trans proline' 0 N--CA 1.512 2.585 0 C-N-CA 121.855 1.703 . . . . 0.0 112.186 -178.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -59.93 -45.48 92.46 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.601 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.15 -84.27 0.14 Allowed Glycine 0 N--CA 1.465 0.608 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.9 m -162.15 140.09 8.75 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -166.82 -54.84 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 68.0 mtt -65.17 -32.4 74.07 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.289 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.23 -32.02 46.19 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.39 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.2 t -66.03 -43.35 87.86 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.701 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -65.27 -41.91 93.72 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.774 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.486 HH12 ' CD1' ' A' ' 106' ' ' LEU . 78.1 ttt180 -64.08 -44.73 91.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.032 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -68.22 -25.83 65.4 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.966 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -61.14 -48.7 80.4 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.854 -179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.21 -45.49 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.933 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.75 -53.95 51.83 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.89 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -57.51 -31.57 66.16 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.3 mt -82.38 -31.67 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.835 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -62.32 -58.65 6.92 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.949 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -63.49 -57.29 10.69 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.46 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.725 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.2 -56.24 3.55 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 119.101 -0.475 . . . . 0.0 110.452 -175.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.6 tp -68.47 -58.99 3.5 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 123.775 0.672 . . . . 0.0 111.021 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.92 -58.86 3.85 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.357 0.599 . . . . 0.0 111.015 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.485 ' N ' ' ND1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -76.68 24.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.601 -1.182 . . . . 0.0 110.048 179.109 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -112.83 -55.5 2.52 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.263 178.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' ALA . 65.8 m-20 15.29 49.86 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 124.903 1.377 . . . . 0.0 109.909 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -56.47 -52.82 63.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.957 -174.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -73.23 -13.93 61.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.27 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 44.85 55.3 6.13 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.052 0.453 . . . . 0.0 110.628 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -119.71 -4.32 10.25 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.004 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 66.7 8.21 5.75 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.622 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -121.08 170.66 9.32 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tp -124.82 101.77 7.24 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 124.076 0.86 . . . . 0.0 111.118 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -98.26 136.83 37.89 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -40.76 -45.96 2.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.725 0.64 . . . . 0.0 112.194 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -53.78 -55.11 29.32 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.714 0.634 . . . . 0.0 110.974 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -58.58 -53.29 60.0 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.875 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.5 ' HE1' ' CG2' ' A' ' 65' ' ' ILE . 26.0 t-105 -58.85 -59.68 5.05 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.869 0.366 . . . . 0.0 110.671 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.485 ' HE ' ' CG ' ' A' ' 62' ' ' ASP . 43.2 ttt-85 -49.08 -55.32 12.54 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.849 -177.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -64.41 -42.59 95.97 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.965 0.791 . . . . 0.0 111.59 -177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -60.18 -55.18 36.98 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.09 -176.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -27.75 64.23 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.778 -175.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -58.34 -50.53 73.31 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.1 p -55.74 -11.55 1.0 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.008 0.432 . . . . 0.0 112.135 -176.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -84.45 23.15 1.15 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.236 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.2 24.3 61.65 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.749 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -107.59 154.69 21.05 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.1 171.19 9.43 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.485 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 29.6 t0 -76.23 -32.16 58.76 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.023 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.03 -44.07 27.56 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.879 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.92 -36.98 78.18 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.162 0.506 . . . . 0.0 110.823 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.5 ' CG2' ' HE1' ' A' ' 51' ' ' TRP . 97.5 mt -71.97 -38.41 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.326 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -55.3 -39.83 70.36 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.693 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.45 -46.3 89.14 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.773 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.8 t -61.84 -50.99 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.703 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -62.45 -54.71 36.11 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 123.272 0.357 . . . . 0.0 110.078 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.94 -43.12 2.02 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.277 0.56 . . . . 0.0 110.352 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -49.69 -12.44 0.07 Allowed 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -115.86 -0.1 12.97 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.627 0.771 . . . . 0.0 111.717 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -84.79 57.7 4.54 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.553 0.216 . . . . 0.0 110.576 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 75' ' ' ASP . 29.2 m -46.54 -47.29 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 74' ' ' VAL . 7.3 p30 -115.17 -16.0 11.6 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.68 35.89 76.08 Favored Glycine 0 C--N 1.341 0.817 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -69.21 -1.29 7.57 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 72.53 26.4 2.53 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.283 0.633 . . . . 0.0 111.542 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 79' ' ' VAL . 14.7 p -147.04 118.97 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 177.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.81 140.67 47.82 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.96 151.66 31.49 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.57 85.62 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.357 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -74.1 -32.91 63.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.318 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -56.56 -38.46 71.96 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -59.78 -41.85 92.03 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.686 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.8 ttt -59.99 -50.97 71.66 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.84 -43.39 81.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.948 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 91' ' ' ASP . 35.6 ttm -58.45 -62.44 1.85 Allowed 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.96 -44.68 7.35 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.196 0.522 . . . . 0.0 111.202 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -65.31 -36.47 84.15 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.809 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' MET . 22.1 t70 -61.06 -49.2 78.32 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.077 0.465 . . . . 0.0 110.243 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mp -53.22 -57.92 8.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.513 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.62 -48.91 68.0 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.271 0.557 . . . . 0.0 109.938 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -47.3 -40.08 14.49 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.895 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -82.71 -35.08 27.03 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.617 0.367 . . . . 0.0 110.08 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.93 -40.8 73.66 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.939 0.4 . . . . 0.0 110.163 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.0 t -62.01 -41.7 98.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.666 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.83 -43.19 98.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.408 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mp -67.66 -43.07 81.12 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.757 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -53.2 -47.34 69.0 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.565 0.221 . . . . 0.0 110.595 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -69.37 -50.9 41.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.717 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -53.12 -47.46 68.64 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.221 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 1.9 tt -58.26 -63.63 1.2 Allowed 'General case' 0 C--N 1.347 0.494 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 103' ' ' LEU . . . 83.24 -166.67 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.711 0.632 . . . . 0.0 109.606 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 44.46 70.58 0.32 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.82 0.7 . . . . 0.0 110.617 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.486 ' CD1' HH12 ' A' ' 25' ' ' ARG . 3.1 tp -139.47 4.82 2.2 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.776 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 . . . . . 0 CA--C 1.542 0.664 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.064 179.719 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.69 -82.19 0.06 OUTLIER Glycine 0 N--CA 1.466 0.676 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 tp 54.92 88.22 0.04 OUTLIER 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.717 -0.241 . . . . 0.0 110.436 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.9 t -140.21 77.11 25.48 Favored Pre-proline 0 N--CA 1.467 0.381 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.23 -37.51 70.35 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.242 1.962 . . . . 0.0 111.971 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -64.42 -24.82 67.76 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.564 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.58 -132.96 0.07 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.2 m 51.42 44.66 28.84 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.092 0.472 . . . . 0.0 110.665 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -60.67 -36.33 78.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.531 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.2 mmt -61.81 -61.36 2.56 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.587 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.64 75.65 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.729 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.7 p -55.9 -41.81 75.07 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.059 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -57.39 -45.78 84.13 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.355 0.597 . . . . 0.0 110.677 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -64.98 -38.91 92.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.316 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.4 -40.11 95.43 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.276 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HZ2' ' CD2' ' A' ' 60' ' ' HIS . 63.1 mmtt -60.42 -49.52 77.26 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.687 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.9 -49.41 84.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.58 -33.97 64.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -85.52 -33.95 21.66 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.122 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.0 mt -80.67 -39.15 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.09 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.68 -56.38 22.53 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.111 -177.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -62.4 -56.6 16.73 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.756 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -44.59 -53.72 6.84 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.037 -176.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 5.1 tp -69.77 -59.08 3.17 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.189 0.931 . . . . 0.0 111.299 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.35 -57.59 5.81 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.586 0.707 . . . . 0.0 110.229 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.406 ' ND1' ' O ' ' A' ' 37' ' ' HIS . 0.7 OUTLIER -76.26 25.47 0.13 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.085 178.103 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -112.95 -55.45 2.52 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.767 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' ALA . 17.2 p-10 6.16 49.5 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 O-C-N 125.601 1.813 . . . . 0.0 110.557 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.68 -52.0 66.98 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.433 -174.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -83.74 -15.09 49.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.536 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 56.9 55.16 6.4 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.014 0.435 . . . . 0.0 110.868 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.406 ' CG ' ' ND1' ' A' ' 45' ' ' HIS . 2.0 p30 -104.23 -20.31 13.83 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.778 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 66.98 8.98 6.53 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.183 0.302 . . . . 0.0 111.03 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.406 ' ND1' ' CG ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -121.73 171.67 8.7 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.4 mt -126.52 104.28 8.05 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.207 0.942 . . . . 0.0 112.377 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -102.82 142.16 34.41 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.17 -48.59 4.84 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -50.75 -56.12 13.5 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.903 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -52.27 62.87 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.013 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -58.41 -60.35 3.93 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.434 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 3.7 tmt_? -53.3 -51.7 61.47 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.609 -178.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.47 -45.31 87.95 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -59.33 -52.44 65.62 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.692 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.01 -24.69 55.28 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.571 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.3 tttm -59.14 -48.22 82.41 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.614 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.39 -8.96 10.23 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.206 -177.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -81.65 23.93 0.62 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.03 10.95 82.11 Favored Glycine 0 N--CA 1.467 0.718 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.454 ' N ' ' ND1' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -99.06 148.25 24.23 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.71 173.6 11.76 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -77.95 -41.06 37.48 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.096 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.73 -46.24 19.4 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -54.22 -45.26 72.22 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.097 0.475 . . . . 0.0 112.023 -176.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.4 tt -63.96 -22.51 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.468 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.9 -41.84 78.81 Favored 'General case' 0 C--O 1.222 -0.372 0 O-C-N 123.354 0.409 . . . . 0.0 110.809 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.35 -39.67 81.79 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.784 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.07 -45.08 80.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.178 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -72.91 -61.22 1.89 Allowed 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.239 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.18 -29.18 0.07 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.76 0.424 . . . . 0.0 111.651 -176.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -55.87 -10.89 0.85 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.872 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.18 -5.07 16.08 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.669 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.55 56.63 1.55 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 75' ' ' ASP . 34.6 m -54.44 -43.94 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.427 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 74' ' ' VAL . 65.3 m-20 -76.24 -14.67 60.13 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.979 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.43 9.32 42.94 Favored Glycine 0 C--N 1.343 0.952 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -75.52 -5.64 46.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 119.129 -0.462 . . . . 0.0 110.464 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 60.73 27.14 16.9 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.651 0.595 . . . . 0.0 111.638 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.537 ' C ' HD23 ' A' ' 80' ' ' LEU . 89.7 t -146.23 121.07 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 120.985 0.422 . . . . 0.0 110.197 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.593 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -139.98 109.66 6.32 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.126 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -99.23 -167.62 1.5 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.71 -16.84 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.129 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -65.85 -60.68 2.63 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.076 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -85.24 -21.93 28.87 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -56.27 -33.42 65.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 41.0 ttp -59.84 -46.5 89.05 Favored 'General case' 0 C--N 1.343 0.297 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -53.93 -43.0 69.43 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.484 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttp -65.12 -58.28 6.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.77 81.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.428 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -62.22 -36.47 82.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.736 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -86.56 -38.33 17.28 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.977 0.417 . . . . 0.0 110.158 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.07 -44.81 96.82 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.715 -176.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.52 -37.81 85.08 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.673 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.46 -45.53 77.61 Favored Glycine 0 C--N 1.343 0.919 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -54.8 -41.17 70.27 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -59.83 -49.64 76.91 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 m -63.92 -42.2 97.46 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -62.9 -38.47 91.07 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.593 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.09 -41.61 81.59 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -56.84 -43.55 81.21 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.739 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -71.22 -49.33 44.59 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.394 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -48.69 -42.26 34.28 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.195 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.7 tp -99.85 -2.78 34.05 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.642 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 52.69 -176.47 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.0 0.428 . . . . 0.0 110.497 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -66.63 -91.88 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.0 tp 56.89 -140.41 0.85 Allowed 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.031 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 118.149 -0.929 . . . . 0.0 109.536 178.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.134 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.02 -66.6 2.38 Favored Glycine 0 N--CA 1.465 0.625 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.2 mt 53.54 57.32 6.25 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.178 0.513 . . . . 0.0 111.207 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 15' ' ' VAL . 11.9 p -164.46 55.61 0.44 Allowed Pre-proline 0 CA--C 1.549 0.904 0 CA-C-O 122.522 1.153 . . . . 0.0 109.756 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -70.28 -16.65 35.43 Favored 'Trans proline' 0 C--N 1.296 -2.215 0 C-N-CA 121.403 1.402 . . . . 0.0 111.877 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -67.38 171.73 5.66 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.19 106.6 0.06 OUTLIER Glycine 0 N--CA 1.461 0.36 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.1 m 53.05 40.75 31.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.21 0.529 . . . . 0.0 110.8 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -64.7 -36.42 84.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.357 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -58.93 -33.68 70.86 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.323 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.46 -40.43 37.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.366 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t -55.06 -41.13 71.09 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.676 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -63.53 -39.15 93.67 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.259 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' NE ' ' HA ' ' A' ' 25' ' ' ARG . 16.0 mmp_? -66.0 -40.63 91.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.913 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.66 -45.41 65.14 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.775 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -52.83 -56.9 12.41 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.482 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.9 -51.7 64.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.376 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.71 -30.77 61.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.402 0.439 . . . . 0.0 110.012 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -86.36 -32.51 20.94 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.2 mt -84.57 -38.43 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 O-C-N 123.63 0.581 . . . . 0.0 111.395 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -54.04 -57.5 10.8 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.753 0.658 . . . . 0.0 110.992 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.68 -54.69 35.51 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.762 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.794 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -40.18 -58.68 1.42 Allowed 'General case' 0 C--O 1.196 -1.734 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.943 -176.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 43.1 tp -67.72 -60.72 2.31 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 123.902 0.751 . . . . 0.0 111.958 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.06 -56.18 5.93 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 122.168 0.985 . . . . 0.0 109.31 -179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -78.09 27.55 0.19 Allowed 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.915 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.794 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -117.46 -55.42 2.31 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-O 117.848 -1.072 . . . . 0.0 111.797 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.525 ' C ' ' O ' ' A' ' 38' ' ' ALA . 68.3 m-20 4.91 52.93 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 124.904 1.378 . . . . 0.0 110.916 -176.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.742 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.46 -52.41 65.71 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.158 -175.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -78.2 -14.94 59.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.212 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 50.62 56.33 8.13 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 123.706 0.629 . . . . 0.0 110.986 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -106.5 -11.02 16.04 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.163 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 65.86 6.26 3.88 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.26 0.35 . . . . 0.0 111.178 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -121.43 134.4 55.09 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.439 ' N ' HD12 ' A' ' 46' ' ' LEU . 10.0 mp -86.98 107.93 18.61 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.452 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -103.95 135.56 45.24 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 125.171 1.544 . . . . 0.0 107.697 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 43.8 t80 -38.81 -47.35 1.39 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -45.38 -57.94 3.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 123.65 0.594 . . . . 0.0 112.026 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -54.0 -46.12 71.68 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.391 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.416 ' CE2' HD22 ' A' ' 55' ' ' LEU . 46.6 t-105 -70.94 -19.76 62.53 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' PHE . 18.2 ttm180 -81.69 -63.24 1.43 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -70.15 -38.57 75.51 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -176.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -57.86 -55.4 35.41 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 124.078 0.861 . . . . 0.0 112.819 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 55' ' ' LEU . 10.9 mp -71.93 -32.64 67.53 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.605 -177.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -54.47 -47.28 73.14 Favored 'General case' 0 C--N 1.312 -1.03 0 O-C-N 123.687 0.617 . . . . 0.0 112.089 -176.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 75.5 m -63.32 -10.25 15.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.135 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -84.98 22.03 1.48 Allowed 'General case' 0 C--O 1.243 0.717 0 O-C-N 123.749 0.656 . . . . 0.0 111.375 -179.117 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.86 8.25 84.54 Favored Glycine 0 N--CA 1.461 0.327 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -101.01 152.45 20.56 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.16 173.86 9.53 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.792 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.38 -32.97 49.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.259 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.7 -44.92 22.45 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.32 -42.88 78.36 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.1 pt -63.51 -21.7 29.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.696 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.18 -40.91 82.15 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.667 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.46 69.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.586 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.17 -28.78 42.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -81.12 -63.03 1.49 Allowed 'General case' 0 CA--C 1.504 -0.792 0 O-C-N 123.496 0.498 . . . . 0.0 110.23 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.06 -32.59 0.1 Allowed 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -52.95 -11.03 0.2 Allowed 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -109.03 -8.33 15.21 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 124.188 0.93 . . . . 0.0 112.095 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -89.72 59.44 4.66 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 75' ' ' ASP . 15.0 p -52.9 -46.24 52.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.264 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.535 ' N ' HG13 ' A' ' 74' ' ' VAL . 16.3 p30 -80.36 -14.77 58.07 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.99 12.11 70.92 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -81.19 -15.08 56.78 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.304 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 67.64 31.48 6.04 Favored 'General case' 0 C--O 1.243 0.727 0 O-C-N 124.33 1.019 . . . . 0.0 112.042 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -137.01 119.11 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mp -134.62 102.82 5.43 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 123.828 0.705 . . . . 0.0 111.537 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 26.2 t70 -100.51 -167.46 1.44 Allowed 'General case' 0 CA--C 1.507 -0.698 0 O-C-N 124.074 0.859 . . . . 0.0 108.993 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.508 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -44.91 -18.42 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 O-C-N 123.146 0.279 . . . . 0.0 111.427 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 81' ' ' ASP . 0.8 OUTLIER -68.27 -62.49 1.37 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.024 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -87.32 -23.02 24.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.47 0.481 . . . . 0.0 111.119 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -61.87 -42.44 99.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.97 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.9 mmt -56.28 -45.59 80.07 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.156 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.12 -39.09 85.05 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.623 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.1 ttp -66.25 -59.39 3.78 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.09 -32.35 54.61 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.817 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -64.3 -45.8 86.37 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.376 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -65.85 -35.24 80.12 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.704 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.18 -33.35 74.29 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.676 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -73.13 -44.16 60.59 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 124.044 0.84 . . . . 0.0 110.506 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.77 -50.21 43.65 Favored Glycine 0 N--CA 1.465 0.594 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -54.44 -38.11 65.93 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.644 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -64.16 -42.76 96.61 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.6 m -67.0 -32.15 73.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.107 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -64.78 -18.8 65.4 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.745 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.99 -38.51 91.45 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.011 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -55.42 -52.47 63.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.731 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -69.87 -43.91 70.86 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -61.13 -52.32 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.96 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.96 0.19 48.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.879 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 39.7 -114.46 0.17 Allowed 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.663 0.602 . . . . 0.0 110.374 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -129.3 -70.47 0.66 Allowed 'General case' 0 CA--C 1.502 -0.878 0 O-C-N 123.658 0.599 . . . . 0.0 110.791 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 106' ' ' LEU . 4.3 mm? 54.67 178.95 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.758 0 O-C-N 123.311 0.382 . . . . 0.0 111.538 -178.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 . . . . . 0 C--O 1.215 -0.76 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.479 179.331 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.97 97.48 0.11 Allowed Glycine 0 N--CA 1.467 0.705 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' H ' ' H ' ' A' ' 15' ' ' VAL . 5.5 tp -162.97 -14.8 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 120.794 0.33 . . . . 0.0 110.233 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.444 ' H ' ' H ' ' A' ' 14' ' ' LEU . 29.5 m -53.41 151.01 10.92 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.873 -178.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -49.74 -175.95 0.01 OUTLIER 'Trans proline' 0 N--CA 1.506 2.252 0 C-N-CA 121.886 1.724 . . . . 0.0 111.699 176.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.85 -13.47 10.8 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.76 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.09 62.37 3.79 Favored Glycine 0 N--CA 1.467 0.705 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.1 m -161.67 -26.53 0.05 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -64.07 -21.55 66.57 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.431 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 62.7 mtt -60.88 -34.25 74.34 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.014 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.85 -37.6 14.29 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.952 0.406 . . . . 0.0 110.448 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -59.82 -41.73 91.94 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.385 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.72 -41.01 97.06 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.991 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -60.95 -48.66 80.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.936 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -34.92 76.84 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.223 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -53.68 -58.24 7.92 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.353 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.1 -44.73 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.167 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.87 -32.45 53.22 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.861 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -84.62 -38.62 19.65 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.648 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.2 -41.09 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.035 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -59.4 -59.59 5.2 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.894 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.62 -57.6 12.03 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.394 0.434 . . . . 0.0 110.468 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.714 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.4 -60.05 1.88 Allowed 'General case' 0 C--O 1.209 -1.053 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.279 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 38.3 tp -67.2 -59.59 3.31 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.16 0.913 . . . . 0.0 111.565 178.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.24 -58.27 5.32 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.705 0.764 . . . . 0.0 109.771 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -76.15 23.44 0.14 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.506 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.754 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -106.88 -56.8 2.15 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.835 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 7.68 43.71 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.601 0 O-C-N 125.62 1.825 . . . . 0.0 111.175 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.754 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.78 -52.97 61.13 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.519 -174.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -82.72 -16.94 46.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.915 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 46.98 57.88 5.28 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.622 0.249 . . . . 0.0 111.178 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -106.0 -9.26 17.14 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.657 0.383 . . . . 0.0 110.702 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 64.06 5.34 2.38 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.868 0.867 . . . . 0.0 111.287 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.432 ' C ' HD22 ' A' ' 46' ' ' LEU . 61.3 m80 -127.03 137.02 52.99 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.432 HD22 ' C ' ' A' ' 45' ' ' HIS . 4.5 mm? -115.68 84.05 2.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.584 0.707 . . . . 0.0 111.495 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.18 156.89 23.91 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -46.4 -43.47 16.35 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 123.738 0.649 . . . . 0.0 112.195 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -54.06 -55.52 26.69 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.847 0.356 . . . . 0.0 111.254 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -57.26 -47.75 80.62 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.26 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -60.8 -56.93 15.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.149 0.5 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -50.78 -53.87 28.26 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.547 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.93 -42.21 94.88 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 123.794 0.684 . . . . 0.0 112.304 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.92 -56.06 25.6 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.221 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mp -72.31 -27.93 62.76 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.468 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.74 -49.53 70.59 Favored 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.856 -0.528 . . . . 0.0 112.285 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.585 ' C ' ' HE ' ' A' ' 58' ' ' ARG . 49.2 t -58.38 -8.59 1.22 Allowed 'General case' 0 CA--C 1.538 0.484 0 O-C-N 123.598 0.561 . . . . 0.0 112.119 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.585 ' HE ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -87.41 15.95 5.95 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 110.189 -0.301 . . . . 0.0 110.189 -179.302 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.12 15.99 73.21 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -101.92 145.48 29.18 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.17 159.63 15.2 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.616 ' O ' HG22 ' A' ' 65' ' ' ILE . 15.4 p-10 -68.53 -22.61 64.5 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.193 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.03 -47.44 28.99 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.401 0.62 . . . . 0.0 110.66 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -69.51 -24.98 63.83 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.197 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 62' ' ' ASP . 3.2 tp -51.63 -25.42 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-O 121.555 0.693 . . . . 0.0 111.696 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -65.2 -29.81 70.65 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.918 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.46 -54.34 17.6 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.66 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.8 m -65.47 -23.95 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.558 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -65.56 0.66 Allowed 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.971 0.415 . . . . 0.0 110.868 -177.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.74 -17.01 1.95 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.49 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -53.47 -57.38 10.87 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.285 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' VAL . 70.7 m-85 -102.83 -42.85 5.72 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.98 66.68 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.083 0.865 . . . . 0.0 110.762 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' TYR . 7.2 p -71.79 -10.55 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.381 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -70.03 -14.34 62.64 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.0 3.44 6.14 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -86.18 -0.63 56.16 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.682 0.393 . . . . 0.0 110.167 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 56.48 19.04 3.85 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.64 0.587 . . . . 0.0 110.455 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.03 150.48 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 122.004 0.907 . . . . 0.0 109.43 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.52 140.89 33.57 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -81.13 -172.99 4.05 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.207 0.527 . . . . 0.0 110.114 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.01 -35.9 74.04 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.926 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -71.55 -57.58 4.28 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.047 -178.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -51.18 -29.34 13.58 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -66.84 -45.71 77.36 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.61 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 39.8 ttm -52.69 -45.98 67.09 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.728 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.34 -36.0 82.71 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.337 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.1 ttt -60.5 -59.66 5.05 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.062 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.98 -39.09 65.72 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.811 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -60.31 -48.56 81.23 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.989 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -59.94 -35.2 74.42 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.842 0.353 . . . . 0.0 110.959 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.7 -41.85 82.92 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.585 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.72 -40.11 93.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.43 -49.81 48.64 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -45.59 -37.57 5.67 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.375 0.607 . . . . 0.0 110.451 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -60.42 -44.62 95.58 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.286 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.9 t -62.59 -40.81 98.07 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.412 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -64.73 -38.63 91.66 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.46 -42.86 91.86 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -50.24 -38.26 39.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -68.84 -47.98 64.64 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.651 178.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -52.37 -46.61 66.24 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 120.903 0.382 . . . . 0.0 110.285 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.68 -0.67 16.2 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.721 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 51.65 -133.83 1.72 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -119.33 -65.65 1.15 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.3 tp 67.9 148.77 0.06 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.147 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 . . . . . 0 N--CA 1.47 0.572 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.839 179.265 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.65 9.69 27.04 Favored Glycine 0 N--CA 1.468 0.818 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.4 mt 52.59 29.5 7.32 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.336 0.589 . . . . 0.0 111.238 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.538 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 17.7 t -77.73 -39.71 1.96 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.04 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 15' ' ' VAL . 66.1 Cg_exo -54.73 -31.07 69.88 Favored 'Trans proline' 0 N--CA 1.501 1.938 0 C-N-CA 121.905 1.737 . . . . 0.0 112.057 -178.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -61.69 -37.43 84.1 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.306 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.86 -171.28 0.24 Allowed Glycine 0 C--N 1.339 0.72 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.6 p -160.03 158.72 31.02 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.42 ' ND1' ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -101.22 99.17 9.52 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.064 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 55.1 mtt -67.09 -31.33 71.75 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.177 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -52.52 65.31 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.539 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.3 p -65.4 -43.96 88.99 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.299 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -61.22 -44.15 97.73 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.978 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -69.85 -45.18 68.35 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.231 0.539 . . . . 0.0 109.921 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.47 -16.32 64.15 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.438 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -54.19 -27.91 37.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.324 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.04 -24.49 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.805 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.93 -33.24 23.54 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.376 0.422 . . . . 0.0 110.98 -178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -85.11 -33.4 22.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.424 HG12 HD21 ' A' ' 55' ' ' LEU . 32.8 mt -72.01 -40.85 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.777 -178.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -56.12 -58.57 7.36 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.67 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -60.32 -54.16 49.05 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.964 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.741 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.03 -60.37 1.66 Allowed 'General case' 0 C--O 1.203 -1.393 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.077 -174.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 35.1 tp -66.94 -58.17 5.49 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.947 0.779 . . . . 0.0 111.962 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.19 -59.05 3.43 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.355 0.598 . . . . 0.0 110.187 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -79.94 22.97 0.47 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.613 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -104.11 -53.8 2.67 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 118.944 -0.551 . . . . 0.0 111.254 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -37.0 68.06 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 125.001 1.438 . . . . 0.0 112.314 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.723 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -82.88 -29.92 28.96 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.084 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -92.74 -17.23 24.46 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 123.859 0.724 . . . . 0.0 111.726 -176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 61.97 55.69 2.49 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -91.16 -23.89 20.12 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 61.72 4.42 1.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.437 1.095 . . . . 0.0 112.046 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.499 ' C ' HD22 ' A' ' 46' ' ' LEU . 8.5 t-80 -129.41 134.58 47.92 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.499 HD22 ' C ' ' A' ' 45' ' ' HIS . 4.5 mm? -113.82 104.33 12.08 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 124.214 0.946 . . . . 0.0 110.762 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -79.77 158.01 26.96 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 176.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -48.98 -44.21 40.75 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -52.61 -55.74 20.25 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.191 0.519 . . . . 0.0 111.209 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -54.41 -43.19 71.27 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.279 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.426 ' CZ2' HD12 ' A' ' 55' ' ' LEU . 60.8 t-105 -63.4 -55.42 24.54 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.816 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 53.4 ttp180 -50.32 -52.88 32.98 Favored 'General case' 0 C--O 1.203 -1.392 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.964 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -65.23 -42.83 93.03 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.88 -54.68 43.28 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.913 -178.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.488 HD22 ' CG ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -73.45 -31.94 64.08 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.621 -177.108 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 40.6 ttpt -53.34 -46.09 69.35 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -177.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.7 t -59.24 -6.64 0.98 Allowed 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -95.02 9.49 39.26 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.862 0.465 . . . . 0.0 111.018 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.35 -18.69 56.44 Favored Glycine 0 N--CA 1.468 0.827 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.488 ' CG ' HD22 ' A' ' 55' ' ' LEU . 2.0 m80 -64.44 136.02 56.67 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.42 159.68 15.14 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -56.79 -21.81 31.46 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.71 -44.8 20.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.463 -0.789 . . . . 0.0 113.066 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -66.21 -37.83 86.5 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.8 pt -59.02 -23.79 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.554 0.216 . . . . 0.0 111.397 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -59.13 -20.93 58.03 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.897 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.66 -39.92 23.65 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.019 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.82 -26.64 40.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.017 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -61.2 -65.38 0.7 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.394 0.616 . . . . 0.0 110.644 -178.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.41 -17.98 0.91 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.453 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.47 -57.62 10.62 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.212 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 74' ' ' VAL . 78.9 m-85 -111.49 -41.36 4.12 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.77 62.36 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.374 1.046 . . . . 0.0 110.281 -177.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' TYR . 65.6 t -74.2 -12.88 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 77' ' ' ASP . 65.3 m-20 -70.15 -13.57 62.26 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.37 2.62 4.38 Favored Glycine 0 C--N 1.345 1.062 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 75' ' ' ASP . 26.9 t0 -80.05 -3.18 47.46 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.938 0.399 . . . . 0.0 110.274 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 58.52 19.31 6.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.176 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.2 t -147.19 153.62 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -142.05 141.11 32.76 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.662 -1.153 . . . . 0.0 107.935 -179.823 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -85.12 -172.58 4.25 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.485 0.659 . . . . 0.0 110.42 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.55 78.02 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.75 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.35 -54.11 19.55 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.332 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -56.09 -27.99 55.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.892 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -68.87 -47.14 66.64 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.762 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.7 tpt -53.29 -44.14 68.06 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.086 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -69.26 -36.26 76.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.563 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.96 -62.27 1.98 Allowed 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.917 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.9 -46.06 60.5 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.736 0.647 . . . . 0.0 111.532 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -41.55 82.04 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.688 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.21 -31.69 67.58 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.448 0.642 . . . . 0.0 110.947 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.95 -37.33 75.82 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.684 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -63.35 -41.62 98.86 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.992 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.68 -26.74 70.73 Favored Glycine 0 C--N 1.338 0.655 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -68.01 -42.52 80.57 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.059 0.456 . . . . 0.0 110.807 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.46 -40.71 96.23 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.357 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.6 p -59.8 -44.88 93.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.29 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.75 -38.1 89.83 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.072 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.59 -48.5 77.12 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.429 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -56.75 -39.64 74.33 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.637 0.586 . . . . 0.0 110.307 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -67.97 -59.24 3.42 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.727 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -54.45 -41.57 69.6 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.235 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.5 mt -149.5 154.62 39.06 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 120.973 0.416 . . . . 0.0 110.024 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.33 -40.7 0.81 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.59 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 51.16 48.06 23.73 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -155.8 48.02 0.5 Allowed 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.686 0.755 . . . . 0.0 111.179 -178.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 . . . . . 0 CA--C 1.542 0.667 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.154 179.016 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.04 145.67 7.11 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.6 mt 54.35 -166.33 0.09 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.688 0.28 . . . . 0.0 110.26 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.2 t 54.89 73.82 0.83 Allowed Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.35 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -54.64 168.0 1.25 Allowed 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.02 1.814 . . . . 0.0 110.794 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 53.24 84.86 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.004 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.27 -81.12 0.09 OUTLIER Glycine 0 CA--C 1.507 -0.446 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.7 t 51.6 -172.2 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -95.97 -45.41 6.94 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.5 mmt -64.65 -61.01 2.46 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.384 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.83 -44.63 78.12 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.488 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.2 t -58.15 -43.12 87.19 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.698 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.34 -41.94 94.64 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.42 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HE ' ' HZ1' ' A' ' 96' ' ' LYS . 79.8 ttt180 -67.15 -40.08 86.62 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.147 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -59.1 -37.82 78.05 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.612 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -59.23 -48.29 82.16 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.0 mt -56.72 -52.19 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.78 76.71 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.928 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -65.84 -30.95 71.65 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.287 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.4 mt -83.62 -33.86 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.071 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -57.24 -58.41 8.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.69 -55.55 29.17 Favored 'General case' 0 CA--C 1.513 -0.447 0 O-C-N 123.766 0.666 . . . . 0.0 110.566 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.722 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.97 -59.7 2.17 Favored 'General case' 0 C--O 1.201 -1.481 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.887 -175.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.4 tp -67.09 -59.49 3.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.572 0.545 . . . . 0.0 111.402 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.06 -57.12 7.11 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 121.711 0.767 . . . . 0.0 110.496 -175.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -77.55 25.22 0.19 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.94 -1.482 . . . . 0.0 110.157 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -115.25 -55.63 2.44 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.363 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER 10.01 52.66 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.534 0 O-C-N 125.471 1.732 . . . . 0.0 109.877 -177.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.599 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.68 -51.81 68.19 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.844 -174.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -77.39 -14.85 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.308 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.9 55.0 9.17 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.829 0.347 . . . . 0.0 110.576 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -110.11 -7.53 14.9 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.785 0.434 . . . . 0.0 110.314 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 62.42 7.57 2.41 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.738 0.649 . . . . 0.0 111.129 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -120.42 134.31 55.29 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.5 tp -87.77 103.87 16.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 123.933 0.77 . . . . 0.0 111.484 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.54 139.35 37.32 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ARG . 27.5 t80 -42.46 -46.05 4.62 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 123.943 0.777 . . . . 0.0 112.591 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -48.0 -55.63 9.61 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.074 0.464 . . . . 0.0 111.395 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -57.37 -50.15 73.9 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.776 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.423 ' HE1' HG13 ' A' ' 65' ' ' ILE . 37.5 t-105 -67.87 -21.35 65.17 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.073 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' PHE . 61.9 ttt-85 -81.28 -62.43 1.66 Allowed 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -71.32 -37.63 71.74 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.631 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -60.89 -54.0 50.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.393 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 55' ' ' LEU . 9.4 mp -75.67 -27.78 58.44 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -177.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -57.33 -48.18 79.64 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.807 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.02 -8.43 3.25 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.158 0.286 . . . . 0.0 111.428 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -86.02 21.91 1.85 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.445 -178.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.04 12.31 79.69 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -99.94 147.74 25.24 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.3 159.41 21.91 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -70.72 -35.3 72.64 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.188 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.42 -43.87 26.24 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.981 0.419 . . . . 0.0 111.255 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.16 -36.6 77.91 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.289 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.423 HG13 ' HE1' ' A' ' 51' ' ' TRP . 1.7 tp -58.27 -23.73 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.663 -178.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -67.52 -39.22 85.09 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.107 -176.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.8 63.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.814 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.54 -33.65 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -78.24 -61.32 2.04 Favored 'General case' 0 C--O 1.225 -0.224 0 O-C-N 123.118 0.261 . . . . 0.0 110.522 -177.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.77 -32.05 0.13 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.181 0.592 . . . . 0.0 111.906 -175.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -57.17 -11.23 1.54 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.805 0.842 . . . . 0.0 112.002 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -110.95 -7.04 14.59 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.039 0.536 . . . . 0.0 111.287 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -93.53 58.66 2.79 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 75' ' ' ASP . 13.0 p -58.36 -45.6 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.244 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.46 ' N ' HG13 ' A' ' 74' ' ' VAL . 12.1 t70 -72.41 -14.45 61.7 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.772 -177.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.51 4.42 57.21 Favored Glycine 0 C--N 1.342 0.883 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -77.33 -16.8 58.75 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.371 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 69.02 25.23 5.96 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 124.484 1.115 . . . . 0.0 111.597 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.7 t -133.68 121.49 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.3 mt -135.71 101.92 4.92 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.616 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 48.3 t0 -97.32 -168.96 1.77 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.474 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -46.88 -16.47 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.579 0.752 . . . . 0.0 112.417 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -66.41 -60.11 3.06 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.654 0.596 . . . . 0.0 110.976 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -86.72 -21.53 26.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.71 0.804 . . . . 0.0 111.519 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -58.55 -39.49 80.39 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.675 -177.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.1 ptp -57.77 -48.64 79.08 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.717 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.74 -43.04 90.11 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.663 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -64.57 -59.49 4.23 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.325 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.44 -40.0 17.03 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.857 0.361 . . . . 0.0 111.652 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -73.14 -31.44 64.28 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.271 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.11 -42.67 98.95 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.432 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.14 -57.8 7.78 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.512 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.08 -44.76 79.26 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.57 -48.65 42.16 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -70.56 -34.99 72.85 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.431 ' HZ1' ' HE ' ' A' ' 25' ' ' ARG . 56.2 tttp -56.08 -40.48 73.68 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.74 0.305 . . . . 0.0 110.797 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.1 m -60.79 -43.73 97.73 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.588 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -62.26 -49.41 75.8 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.356 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.69 -42.66 73.8 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.357 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -57.3 -48.15 79.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.63 0.252 . . . . 0.0 110.543 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -67.39 -56.87 7.91 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -50.34 -39.37 46.06 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.408 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 11.0 tp -56.51 -65.46 0.61 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.258 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 103' ' ' LEU . . . 87.46 -174.45 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 O-C-N 124.554 1.159 . . . . 0.0 109.628 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 46.47 68.32 0.63 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 48.9 mt -97.68 17.0 18.88 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.621 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.45 179.734 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.18 156.98 21.48 Favored Glycine 0 N--CA 1.467 0.717 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.7 mt -101.76 30.75 4.18 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.2 0.6 . . . . 0.0 110.748 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.539 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 12.2 t -81.67 -41.14 1.04 Allowed Pre-proline 0 C--N 1.316 -0.854 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.863 178.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 15' ' ' VAL . 93.4 Cg_endo -83.41 88.81 1.13 Allowed 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.418 2.079 . . . . 0.0 111.258 -177.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -109.96 -18.91 13.27 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.338 0.399 . . . . 0.0 110.097 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.93 53.08 36.24 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.5 t -165.05 46.68 0.09 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.034 0.445 . . . . 0.0 110.589 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -167.18 28.93 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 37.2 ttm -61.83 -35.18 77.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.494 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.63 -54.27 45.03 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.772 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -62.46 -41.64 98.9 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.333 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -60.29 -46.1 91.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.28 0.562 . . . . 0.0 110.736 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.3 mmt-85 -72.06 -22.75 61.33 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.596 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.9 -15.76 62.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.375 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -56.47 -31.78 64.35 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.851 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.3 -43.39 71.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.661 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.77 -36.54 64.98 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.882 0.373 . . . . 0.0 110.78 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -85.1 -37.09 20.67 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.729 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.7 mt -79.56 -40.42 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.3 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -54.8 -56.34 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.034 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.42 -51.92 65.62 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.05 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.788 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -41.94 -57.29 2.46 Favored 'General case' 0 C--O 1.201 -1.482 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.098 -176.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 34.4 tp -68.55 -59.98 2.75 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.075 0.86 . . . . 0.0 111.524 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.4 -58.39 4.21 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.825 0.821 . . . . 0.0 110.262 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -75.94 26.21 0.12 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.44 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.788 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -115.08 -55.61 2.45 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-O 117.804 -1.093 . . . . 0.0 112.195 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 38' ' ' ALA . 62.5 m-20 7.36 49.84 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.201 0 O-C-N 125.526 1.766 . . . . 0.0 110.57 -177.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.713 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.19 -52.79 64.19 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.774 -174.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -80.64 -14.06 58.49 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.832 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 54.38 55.75 7.72 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.166 0.291 . . . . 0.0 110.51 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -108.47 -17.98 13.85 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 68.85 10.4 7.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.414 0.446 . . . . 0.0 110.825 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 46' ' ' LEU . 55.7 t60 -116.89 162.27 18.02 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 7.3 mp -119.09 97.52 5.72 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.111 0.882 . . . . 0.0 111.381 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -99.39 140.82 33.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -36.72 -46.94 0.63 Allowed 'General case' 0 C--O 1.207 -1.163 0 O-C-N 124.354 1.034 . . . . 0.0 112.144 -179.54 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -47.75 -56.22 7.84 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.578 0.549 . . . . 0.0 111.523 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -58.64 -52.01 67.49 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.747 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -68.07 -21.23 64.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.177 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' PHE . 59.7 ttm-85 -81.74 -62.2 1.71 Allowed 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -69.13 -38.87 79.07 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.312 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.09 -56.14 25.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.665 -177.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.32 -36.92 80.02 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.73 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -54.07 -47.32 71.79 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -175.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -61.03 -12.3 11.23 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.194 0.309 . . . . 0.0 111.353 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -84.79 24.03 1.1 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.032 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.31 12.29 76.32 Favored Glycine 0 N--CA 1.461 0.342 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -102.74 152.07 21.66 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.75 172.49 12.17 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.57 -34.58 53.64 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.331 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.92 -42.71 32.23 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.765 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -54.77 -38.88 67.77 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.664 0.269 . . . . 0.0 111.65 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.62 -24.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.12 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.07 -42.34 99.64 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 123.347 0.405 . . . . 0.0 110.56 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.07 -53.85 52.08 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.779 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.57 -48.15 90.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.677 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -67.93 -54.89 15.25 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.678 -178.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.12 -45.15 2.69 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.237 0.542 . . . . 0.0 111.274 -178.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -52.57 -10.78 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.77 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -101.34 -41.63 6.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.476 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.37 114.1 0.58 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -54.14 9.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 123.531 0.519 . . . . 0.0 110.395 -177.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -115.15 6.7 15.17 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.668 0.387 . . . . 0.0 110.49 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.51 18.75 73.97 Favored Glycine 0 N--CA 1.47 0.912 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -75.49 -11.73 60.09 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.053 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 63.92 24.03 13.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 123.466 0.479 . . . . 0.0 111.964 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -145.24 119.57 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-O 121.001 0.429 . . . . 0.0 109.865 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -141.15 117.0 10.41 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.337 -179.396 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.13 -170.33 1.78 Allowed 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -38.59 -49.29 1.52 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 124.599 1.187 . . . . 0.0 110.776 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -44.08 -57.34 3.44 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.804 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -86.05 -33.37 21.02 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.305 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -63.05 -37.2 86.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.974 -177.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.8 ttt -49.97 -44.81 51.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.315 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.06 -30.5 59.76 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.6 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 19.3 ttt -68.69 -54.63 15.05 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.454 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.18 -33.96 42.98 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -64.22 -49.5 71.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.705 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.94 -41.05 83.11 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.13 -40.95 91.57 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.599 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.27 -43.04 74.7 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.081 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.7 -37.67 93.74 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -64.11 -42.47 96.87 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.122 0.486 . . . . 0.0 110.456 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -59.6 -43.45 93.73 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.059 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.9 t -61.92 -45.61 92.93 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.501 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -61.5 -41.82 97.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.794 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.4 tp -57.76 -51.85 67.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.337 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -47.77 -40.61 21.19 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.74 0.65 . . . . 0.0 110.604 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -80.14 -34.31 37.82 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.145 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.02 -52.91 61.68 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -176.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.36 -1.58 38.44 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.893 -178.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 46.36 -98.24 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 O-C-N 123.517 0.511 . . . . 0.0 110.823 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -140.74 -62.17 0.49 Allowed 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.438 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.8 mp 53.09 -175.27 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.126 0.488 . . . . 0.0 110.234 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.538 0.498 0 CA-C-O 118.244 -0.884 . . . . 0.0 109.765 179.43 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.227 -0.082 0 CA-C-O 120.737 0.303 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.8 mtp -65.93 -45.98 79.9 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.82 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.94 -48.7 60.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 m -50.99 -45.06 61.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.201 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -54.62 -41.03 69.51 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -66.48 -41.61 88.69 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.664 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.87 -41.55 99.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.27 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.75 -58.5 8.32 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.675 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.09 -50.61 79.12 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.686 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.17 63.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -85.5 -32.86 21.99 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.303 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -82.54 -38.12 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.97 -56.46 20.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.439 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ALA . 88.4 mt-10 -62.61 -59.92 4.25 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.611 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.838 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -39.74 -55.51 1.91 Allowed 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 119.029 -0.51 . . . . 0.0 110.646 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.525 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 tp -68.09 -61.09 2.02 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 123.577 0.548 . . . . 0.0 111.564 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.56 -55.89 4.78 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 121.25 0.547 . . . . 0.0 109.552 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 37' ' ' HIS . 1.6 m-70 -80.93 29.41 0.33 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.779 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.838 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -118.84 -56.07 2.14 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 119.355 -0.355 . . . . 0.0 111.378 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.605 ' C ' ' O ' ' A' ' 38' ' ' ALA . 59.3 m-20 4.47 54.9 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.46 0.648 . . . . 0.0 110.878 -176.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.775 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -57.63 -52.73 64.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.932 -176.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.492 ' O ' ' C ' ' A' ' 42' ' ' ALA . 12.3 t-20 -89.03 19.93 3.9 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.147 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . 28.99 53.08 0.08 Allowed 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.471 0.482 . . . . 0.0 110.145 -178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -99.25 -24.56 14.8 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.711 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 68.03 7.64 5.96 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 123.456 0.473 . . . . 0.0 111.184 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.466 ' C ' HD12 ' A' ' 46' ' ' LEU . 7.0 m-70 -116.85 166.14 12.5 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.466 HD12 ' C ' ' A' ' 45' ' ' HIS . 8.7 mp -117.28 99.76 7.24 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.07 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -99.39 135.15 41.22 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -38.53 -49.16 1.48 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -49.31 -54.95 14.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.967 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -59.2 -49.84 76.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.138 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -61.47 -60.43 3.72 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -51.51 -52.97 42.36 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.749 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -63.14 -46.6 86.49 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.772 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.63 -54.66 44.32 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.374 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -33.72 76.29 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.4 -49.64 69.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.277 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 70.0 m -61.18 -14.32 24.36 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -82.17 22.03 0.85 Allowed 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.489 -177.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.71 12.0 72.97 Favored Glycine 0 N--CA 1.46 0.284 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -99.74 150.11 22.65 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.166 0.508 . . . . 0.0 109.735 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.07 176.63 9.08 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.313 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -78.29 -40.6 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.389 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.8 -42.32 41.05 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.755 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.07 -38.71 58.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.383 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.9 mt -69.44 -22.75 25.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.136 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -62.31 -47.9 82.22 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.267 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.25 94.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.646 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -64.92 -37.33 79.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.485 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -78.61 -58.36 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.702 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -38.73 -38.34 0.4 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.877 0.37 . . . . 0.0 111.812 -175.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -7.25 0.14 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.456 ' H ' ' C ' ' A' ' 70' ' ' ALA . 35.7 m-85 -107.12 -6.13 17.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.061 0.85 . . . . 0.0 111.431 -176.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -76.66 115.3 16.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.0 t -87.45 -51.03 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.723 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -116.76 2.79 12.94 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.54 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.12 15.16 76.54 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -68.78 -14.03 62.77 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.542 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 62.95 35.0 13.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.345 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 79' ' ' VAL . 12.0 p -147.63 120.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.034 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mp -134.73 106.15 6.8 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.832 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -93.34 -166.87 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.31 0.576 . . . . 0.0 110.014 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.52 -14.47 0.5 Allowed 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.117 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -64.4 -59.22 4.61 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.372 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -84.27 -18.67 35.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.418 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -56.87 -37.95 72.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.9 mtt -56.18 -47.18 78.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.453 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -56.12 -41.81 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 36.0 ttm -59.43 -62.5 1.83 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.53 71.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -62.04 -49.11 77.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.4 -39.14 88.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.902 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.31 -25.21 63.21 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.442 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -73.65 -45.61 51.63 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 123.58 0.55 . . . . 0.0 110.766 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.15 -52.76 41.59 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -54.87 -38.66 67.79 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.798 0.332 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.66 -44.75 92.86 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.128 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.3 t -58.94 -46.25 88.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.23 0.538 . . . . 0.0 110.896 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.49 -32.21 73.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.064 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mp -78.46 -46.18 20.36 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.102 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.27 -26.2 64.74 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.683 -177.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -46.84 -64.25 0.82 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.271 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -80.89 -41.39 23.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.877 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.953 -178.027 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 85.7 t60 . . . . . 0 N--CA 1.464 0.244 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.9 tpt -61.89 -40.97 97.24 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.409 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.63 88.61 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.127 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.6 t -62.63 -44.29 96.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.019 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.33 -45.6 92.48 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.619 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.56 HH21 ' NZ ' ' A' ' 96' ' ' LYS . 74.1 mtp180 -62.04 -31.49 71.9 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.848 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.98 -16.11 11.34 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.076 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 63.2 pttt -52.46 -32.58 40.36 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 121.359 0.6 . . . . 0.0 111.621 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.55 -46.14 97.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.342 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.149 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.47 -41.05 60.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.963 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -85.36 -42.4 14.59 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.516 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.91 -45.49 80.48 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 O-C-N 123.27 0.356 . . . . 0.0 111.296 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -53.42 -58.69 6.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 110.386 -176.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -60.92 -51.26 70.04 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.845 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.801 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.18 -60.38 1.69 Allowed 'General case' 0 C--O 1.195 -1.816 0 CA-C-O 117.592 -1.194 . . . . 0.0 109.692 -174.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 5.6 mt -68.17 -58.05 5.07 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.939 0.774 . . . . 0.0 111.813 178.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.91 -60.84 2.3 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.365 0.602 . . . . 0.0 109.724 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -77.54 23.59 0.22 Allowed 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.222 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -106.72 -57.17 2.09 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 117.54 -1.219 . . . . 0.0 111.03 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' ALA . 67.2 m-20 6.7 42.25 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.479 0 O-C-N 125.613 1.821 . . . . 0.0 111.752 -178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.797 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.08 -52.45 65.29 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.783 -174.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -81.39 -16.22 52.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.413 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 45.25 57.7 4.63 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.256 0.347 . . . . 0.0 110.837 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.0 p-10 -110.04 -8.51 14.81 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.524 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 66.7 6.41 4.5 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 124.153 0.908 . . . . 0.0 111.258 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -128.34 138.8 52.54 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.5 mt -119.58 104.51 10.36 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 123.802 0.689 . . . . 0.0 109.446 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -83.65 159.24 21.6 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.423 ' CE1' ' CE2' ' A' ' 69' ' ' PHE . 2.1 t80 -43.89 -44.38 6.98 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.65 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -52.75 -56.75 13.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.559 -178.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -55.48 -47.26 76.42 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.388 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -61.54 -58.83 6.56 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 38.6 ttm180 -49.23 -55.26 13.16 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.726 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.77 -42.79 90.39 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 123.988 0.805 . . . . 0.0 112.531 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -59.52 -54.4 47.05 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.776 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.47 -36.92 74.15 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.141 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 62.0 tttm -49.75 -47.73 50.62 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -176.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.4 m -53.5 -8.31 0.14 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.291 0.369 . . . . 0.0 111.671 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HE ' ' HA ' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -96.89 14.76 24.25 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.856 0.723 . . . . 0.0 111.776 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.36 -20.24 42.08 Favored Glycine 0 N--CA 1.475 1.292 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -59.4 133.65 56.29 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.76 162.91 14.67 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.646 ' O ' HG22 ' A' ' 65' ' ' ILE . 8.1 p-10 -68.29 -26.18 65.52 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.172 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.37 -46.0 43.39 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.979 0.419 . . . . 0.0 110.789 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -72.01 -23.17 61.36 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.335 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.646 HG22 ' O ' ' A' ' 62' ' ' ASP . 3.4 tp -54.2 -27.61 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.004 0.431 . . . . 0.0 111.381 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.26 -23.97 66.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.347 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.71 -47.65 21.26 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.463 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.0 t -63.61 -33.87 64.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.457 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CE2' ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -64.32 -65.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.77 -177.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.89 -18.29 4.73 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.184 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -53.59 -56.72 14.71 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 123.959 0.787 . . . . 0.0 109.7 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.713 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -103.36 -42.88 5.58 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.23 67.05 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.887 0.742 . . . . 0.0 109.88 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 72' ' ' TYR . 18.8 t -75.23 -12.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 -178.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 77' ' ' ASP . 50.5 m-20 -74.21 -15.04 61.02 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.89 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.31 -3.01 1.31 Allowed Glycine 0 N--CA 1.474 1.181 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 75' ' ' ASP . 36.7 p30 -74.4 -2.26 24.61 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.776 0.288 . . . . 0.0 110.281 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 56.71 15.44 2.18 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.598 1.186 . . . . 0.0 110.605 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.685 ' O ' HD22 ' A' ' 80' ' ' LEU . 91.8 t -139.18 139.26 40.07 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.041 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -141.04 142.77 34.16 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 124.469 1.106 . . . . 0.0 110.712 179.113 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -71.74 164.08 26.61 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 121.411 0.624 . . . . 0.0 110.198 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.85 -17.24 5.86 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.02 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.8 -27.13 68.04 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.253 0.549 . . . . 0.0 110.572 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.46 -25.17 64.86 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.554 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.3 -44.79 95.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.973 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 65.2 mtt -60.8 -51.24 70.19 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.628 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -60.76 -44.07 97.2 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.328 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.4 mtt -53.66 -63.28 1.2 Allowed 'General case' 0 N--CA 1.476 0.845 0 O-C-N 123.304 0.378 . . . . 0.0 110.818 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.84 -55.04 12.8 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.993 0.425 . . . . 0.0 111.501 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -62.96 -42.66 99.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.74 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.28 -44.93 94.92 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.77 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.35 -41.87 90.21 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.94 0.4 . . . . 0.0 110.031 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -48.13 59.53 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.89 -33.84 29.02 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -78.93 -33.49 45.38 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.56 ' NZ ' HH21 ' A' ' 25' ' ' ARG . 56.5 tttp -58.73 -30.78 67.73 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-O 120.842 0.353 . . . . 0.0 110.336 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.1 t -60.61 -42.46 96.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.587 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -60.8 -39.32 88.47 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.688 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.44 -38.09 56.0 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.859 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -52.35 -41.07 62.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.962 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -74.07 -47.15 38.51 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.259 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -47.75 -44.78 28.43 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.647 0.592 . . . . 0.0 110.642 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.9 mt . . . . . 0 CA--C 1.499 -0.984 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.09 179.217 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.8 t60 . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 120.594 0.235 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.2 mtt -61.11 -48.26 82.49 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.51 -53.65 53.75 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.365 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.2 p -53.28 -41.94 66.05 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.585 0.231 . . . . 0.0 111.443 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -49.75 -32.44 13.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.954 0.407 . . . . 0.0 110.911 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -71.06 -38.75 72.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.529 0.681 . . . . 0.0 109.441 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.47 -31.72 72.96 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.804 -177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.8 -59.54 5.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.274 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 pt -60.35 -40.14 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.66 -58.18 7.64 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 120.864 0.364 . . . . 0.0 111.395 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -68.35 -39.06 82.0 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.131 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.5 mt -69.22 -43.49 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 123.101 0.251 . . . . 0.0 110.869 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -61.94 -58.52 7.6 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.61 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.71 -57.15 13.9 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 123.71 0.631 . . . . 0.0 110.331 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.733 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.58 -58.38 2.67 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.13 -175.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.41 -58.65 4.38 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.965 0.791 . . . . 0.0 112.232 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.3 -57.95 5.92 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.418 0.627 . . . . 0.0 110.068 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -78.56 24.54 0.28 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.862 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -109.16 -55.55 2.4 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.594 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 1.78 51.2 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.784 0 O-C-N 125.778 1.924 . . . . 0.0 111.092 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.715 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -66.08 -51.29 59.44 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.332 -174.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -77.87 -16.48 58.24 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.47 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 51.74 55.38 9.41 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.537 0.208 . . . . 0.0 110.905 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -99.6 -11.99 20.49 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.438 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 63.24 5.88 2.16 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.697 0.799 . . . . 0.0 111.192 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -116.12 173.07 6.77 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.444 HD11 HE21 ' A' ' 85' ' ' GLN . 19.7 mt -128.41 110.12 12.04 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.881 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -110.08 146.76 34.85 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' ARG . 8.8 t80 -41.31 -44.41 2.72 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 123.784 0.677 . . . . 0.0 111.43 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -48.58 -54.48 14.38 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.633 0.583 . . . . 0.0 111.135 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -59.75 -50.94 71.85 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.565 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -66.77 -23.72 66.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' PHE . 70.4 ttp85 -81.72 -61.97 1.77 Allowed 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.43 -36.31 73.91 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -64.53 -55.37 21.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.562 0.539 . . . . 0.0 112.395 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.17 -28.3 57.28 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.998 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 62.9 tttp -56.33 -46.05 80.07 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -177.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.4 m -63.61 -4.13 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -95.5 10.6 35.97 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.899 0.479 . . . . 0.0 110.826 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.39 -2.4 74.25 Favored Glycine 0 N--CA 1.473 1.126 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.429 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 1.8 m80 -81.41 140.69 34.53 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.02 160.38 14.74 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.85 -30.42 70.59 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.136 0.493 . . . . 0.0 110.285 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.05 83.94 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.268 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -56.13 -22.42 28.32 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.3 mt -53.04 -31.12 17.0 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -61.24 -43.2 99.26 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.59 -53.66 26.35 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.86 -25.1 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -63.9 1.11 Allowed 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.651 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.44 -19.45 0.32 Allowed 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.724 0.773 . . . . 0.0 111.235 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -80.91 -37.31 29.83 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.684 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -115.21 -23.72 8.83 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.18 129.03 42.45 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 123.264 0.625 . . . . 0.0 110.912 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.623 HG23 ' H ' ' A' ' 75' ' ' ASP . 27.2 m -73.85 -60.44 2.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.367 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.623 ' H ' HG23 ' A' ' 74' ' ' VAL . 46.8 p-10 -116.8 18.3 14.87 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.187 0.995 . . . . 0.0 111.225 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.38 36.55 58.09 Favored Glycine 0 N--CA 1.478 1.489 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -70.99 5.03 2.22 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 51.93 22.84 1.9 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 79' ' ' VAL . 11.6 p -146.38 119.53 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mp -140.1 97.45 3.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.641 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -89.24 -168.29 2.13 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.59 -17.11 0.08 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 122.705 0.402 . . . . 0.0 111.868 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -62.94 1.19 Allowed 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.095 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -87.49 -24.59 24.05 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 120.987 0.422 . . . . 0.0 110.971 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.444 HE21 HD11 ' A' ' 46' ' ' LEU . 37.8 tt0 -64.78 -40.52 95.39 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.062 -178.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.1 ttt -46.99 -41.23 15.96 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.04 -36.06 80.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.528 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.5 ttt -60.2 -62.46 1.85 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.52 -42.84 55.54 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -63.32 -44.16 95.76 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.584 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -65.19 -41.96 94.08 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.8 0.333 . . . . 0.0 111.12 -178.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.44 -38.6 91.61 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.052 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -64.69 -42.94 94.97 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.618 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.51 -38.22 94.54 Favored Glycine 0 N--CA 1.467 0.73 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -42.72 96.55 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.48 -49.58 76.23 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.173 0.295 . . . . 0.0 110.412 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.3 m -62.36 -44.18 97.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.865 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.79 -38.18 89.62 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.478 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.1 tp -63.72 -43.92 95.12 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.962 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -51.19 -37.56 47.26 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.816 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -74.19 -47.23 36.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.822 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -51.68 -45.94 63.64 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.73 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.4 tp . . . . . 0 N--CA 1.462 0.17 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.274 179.529 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.0 mtt -65.42 -39.17 91.8 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.431 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.77 85.1 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -67.11 -44.05 80.93 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -72.5 -19.44 61.54 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.839 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -46.68 -35.54 6.15 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 123.725 0.641 . . . . 0.0 110.962 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.32 -47.48 14.45 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.54 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -62.92 -23.27 67.29 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.204 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.8 mm -58.89 -55.8 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.13 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.43 -20.25 40.75 Favored 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 123.672 0.607 . . . . 0.0 109.866 -177.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.73 -38.71 49.09 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -67.79 -23.97 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.647 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.548 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -82.08 -56.45 3.93 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 123.579 0.55 . . . . 0.0 111.971 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.19 -40.25 93.23 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.536 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.777 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.98 -58.17 2.94 Favored 'General case' 0 C--O 1.193 -1.869 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.423 -175.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.47 -58.66 4.78 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.209 0.943 . . . . 0.0 111.607 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.81 -56.49 8.54 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.572 0.701 . . . . 0.0 109.623 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -80.96 25.04 0.47 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.975 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -111.32 -56.55 2.36 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 118.058 -0.973 . . . . 0.0 111.2 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' ALA . 11.2 p30 7.4 49.85 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 O-C-N 125.494 1.746 . . . . 0.0 110.945 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.77 -50.81 70.85 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.239 -175.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -76.44 -16.84 59.59 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.761 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 41.2 55.18 3.32 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.417 0.448 . . . . 0.0 110.947 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -101.2 -9.61 21.13 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.273 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 74.41 4.05 4.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.336 1.054 . . . . 0.0 110.511 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.9 135.87 50.59 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.04 126.75 35.56 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -112.11 139.72 47.39 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -45.91 -44.65 14.77 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.341 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -51.49 -56.03 15.65 Favored 'General case' 0 C--N 1.341 0.214 0 O-C-N 123.454 0.471 . . . . 0.0 111.031 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -55.41 -46.62 76.63 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.495 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.428 ' HE1' HG23 ' A' ' 65' ' ' ILE . 60.0 t-105 -60.46 -60.02 4.48 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 121.249 0.547 . . . . 0.0 110.904 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -50.68 -53.59 29.93 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.947 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.05 -44.18 85.32 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 123.744 0.652 . . . . 0.0 112.158 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -59.6 -51.62 69.03 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.406 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.18 -33.92 75.34 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -53.25 -48.18 68.45 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.676 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.73 -15.82 33.26 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.014 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 17.85 0.6 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.51 14.13 80.53 Favored Glycine 0 N--CA 1.462 0.406 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.428 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -104.35 150.48 24.44 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.41 160.13 14.67 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -59.45 -43.26 93.19 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.55 -49.03 79.17 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.049 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -59.92 -39.67 86.26 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.701 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.428 HG23 ' HE1' ' A' ' 51' ' ' TRP . 94.9 mt -60.08 -23.45 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.638 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -57.73 -35.43 70.67 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.835 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.04 -40.88 62.54 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.141 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.52 -22.69 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.132 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -61.64 -64.25 1.0 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.1 0.476 . . . . 0.0 111.529 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.48 -16.82 2.56 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.144 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -52.51 -57.31 10.33 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.595 0.559 . . . . 0.0 110.441 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 74' ' ' VAL . 72.0 m-85 -99.02 -41.09 7.72 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.407 ' OD2' HD22 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -63.0 62.49 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.211 0.944 . . . . 0.0 110.238 -177.628 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' TYR . 54.4 t -60.09 -48.55 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -66.99 -12.9 61.17 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.529 ' C ' ' H ' ' A' ' 78' ' ' ARG . . . 47.26 18.65 0.54 Allowed Glycine 0 C--N 1.35 1.354 0 N-CA-C 112.728 -0.149 . . . . 0.0 112.728 177.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -69.75 14.8 0.09 Allowed 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.529 ' H ' ' C ' ' A' ' 76' ' ' GLY . 86.9 mtm180 54.41 10.06 0.3 Allowed 'General case' 0 C--N 1.347 0.486 0 C-N-CA 122.92 0.488 . . . . 0.0 111.771 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.6 t -147.28 132.72 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.662 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.712 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -141.38 141.45 33.79 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 106.039 -1.838 . . . . 0.0 106.039 178.302 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -82.84 172.68 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.36 0.6 . . . . 0.0 110.493 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.29 -15.15 1.43 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.275 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -67.62 -39.05 84.72 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.295 0.569 . . . . 0.0 111.051 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -67.46 -26.02 66.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.524 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.34 -42.95 92.36 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.3 tpt -59.49 -47.34 85.9 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -63.76 -39.24 93.78 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.857 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 24.9 ttt -54.67 -60.02 3.93 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.96 -45.37 15.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.32 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -59.76 -30.14 68.65 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.973 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -76.58 -50.76 13.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.445 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.09 -41.97 99.5 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -50.35 -30.47 12.26 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.127 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.12 -32.15 83.2 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.46 -41.65 98.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.033 0.444 . . . . 0.0 110.358 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -58.14 -42.77 86.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.285 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.2 t -61.59 -38.8 88.89 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.193 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.41 -44.18 97.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.355 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.62 -40.83 97.9 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.645 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -55.03 -48.16 73.77 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.46 -40.11 77.32 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.075 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -50.58 -49.81 55.32 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.789 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.8 tp . . . . . 0 C--O 1.233 0.184 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.086 178.664 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.9 p80 . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 110.61 -0.144 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -37.51 87.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 O-C-N 123.216 0.322 . . . . 0.0 110.754 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.16 -56.84 17.03 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.692 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.3 p -62.78 -43.76 97.97 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.662 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.67 -42.82 97.85 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.448 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.4 mmp_? -73.56 -44.56 57.12 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.545 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -63.79 -15.58 59.07 Favored 'General case' 0 CA--C 1.51 -0.588 0 O-C-N 123.398 0.436 . . . . 0.0 110.199 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -52.72 -17.34 1.28 Allowed 'General case' 0 C--O 1.241 0.632 0 CA-C-O 121.401 0.62 . . . . 0.0 111.672 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.8 pt -63.28 -25.68 39.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.431 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.188 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.74 -56.46 13.66 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.46 0.648 . . . . 0.0 111.252 -177.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -67.9 -38.91 83.59 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.515 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.0 mt -70.0 -44.41 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 121.047 0.451 . . . . 0.0 111.653 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -56.53 -58.67 7.05 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.41 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -60.59 -54.92 39.6 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.226 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.89 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -41.82 -60.98 1.21 Allowed 'General case' 0 C--O 1.188 -2.142 0 O-C-N 123.975 0.797 . . . . 0.0 109.513 -175.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.417 ' N ' ' OE2' ' A' ' 54' ' ' GLU . 34.6 tp -65.65 -57.59 7.74 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.753 0.787 . . . . 0.0 112.166 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.24 -60.81 2.49 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.668 0.747 . . . . 0.0 111.116 -175.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -80.45 25.26 0.42 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.466 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -115.36 -55.92 2.41 Favored 'General case' 0 CA--C 1.49 -1.36 0 CA-C-O 117.026 -1.464 . . . . 0.0 111.493 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 38' ' ' ALA . 57.1 m-20 5.83 51.83 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 125.56 1.788 . . . . 0.0 111.126 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.682 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.98 -52.69 62.02 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.054 -175.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -76.41 -17.04 59.56 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 124.024 0.828 . . . . 0.0 110.438 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 49.05 56.75 7.31 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.282 0.364 . . . . 0.0 111.806 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 p30 -103.7 -9.71 18.92 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.2 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 64.07 6.47 2.9 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 124.267 0.98 . . . . 0.0 111.384 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.405 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 80.1 m80 -127.63 137.42 52.53 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 tp -96.12 122.48 39.0 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.422 1.076 . . . . 0.0 111.407 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -111.34 143.56 41.95 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -46.05 -47.58 16.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.62 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -47.05 -57.56 4.92 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.38 0.609 . . . . 0.0 111.207 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -56.23 -44.31 79.47 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.167 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -59.13 -59.93 4.68 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.053 0.454 . . . . 0.0 110.666 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 59.2 ttp180 -51.49 -56.66 12.15 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.603 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.11 -43.47 95.21 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.743 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.417 ' OE2' ' N ' ' A' ' 35' ' ' LEU . 39.4 tt0 -60.88 -54.1 49.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.277 0.561 . . . . 0.0 110.845 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.65 -28.85 61.03 Favored 'General case' 0 CA--C 1.485 -1.528 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.516 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.4 tttm -54.44 -48.26 71.91 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -176.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.7 p -62.04 -6.03 2.63 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.441 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -94.23 15.84 16.35 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.623 0.369 . . . . 0.0 110.811 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.19 -1.92 80.59 Favored Glycine 0 N--CA 1.468 0.777 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.559 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -82.72 144.22 30.37 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.15 157.04 17.06 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -62.8 -31.78 72.83 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.838 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.09 -49.24 46.62 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.564 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -57.02 -32.06 65.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.481 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.528 ' O ' HG12 ' A' ' 68' ' ' VAL . 57.4 mt -56.56 -25.74 21.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 121.087 0.47 . . . . 0.0 110.355 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -55.14 -36.74 66.11 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.536 -177.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.45 -45.34 39.22 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.739 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 65' ' ' ILE . 2.2 p -61.32 -23.61 30.89 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.536 -177.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.87 -60.29 3.46 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.347 0.594 . . . . 0.0 109.791 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.52 -18.46 0.24 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.806 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -56.15 -57.77 10.79 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.079 -176.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.891 ' O ' ' N ' ' A' ' 74' ' ' VAL . 67.3 m-85 -99.44 -45.31 5.87 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-O 116.265 -1.826 . . . . 0.0 109.628 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' TYR . 17.1 p-10 7.07 36.75 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 125.763 1.915 . . . . 0.0 112.353 -178.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.891 ' N ' ' O ' ' A' ' 72' ' ' TYR . 2.8 p -41.98 -60.56 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -175.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.722 ' H ' HG13 ' A' ' 74' ' ' VAL . 48.3 t0 -103.49 -9.69 19.13 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 124.592 1.183 . . . . 0.0 109.583 178.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.6 29.3 0.14 Allowed Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' A' ' 79' ' ' VAL . 30.8 t70 -86.16 21.68 1.96 Allowed 'General case' 0 CA--C 1.508 -0.657 0 CA-C-O 121.057 0.456 . . . . 0.0 109.86 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.433 ' HA ' ' HE ' ' A' ' 78' ' ' ARG . 0.6 OUTLIER 60.53 0.21 0.31 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.657 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.749 ' C ' HD22 ' A' ' 80' ' ' LEU . 43.2 t -143.95 131.29 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.941 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 79' ' ' VAL . 3.3 mm? -137.43 94.47 2.93 Favored 'General case' 0 CA--C 1.49 -1.349 0 O-C-N 125.194 1.559 . . . . 0.0 109.353 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 22.6 t70 -62.32 -170.5 0.02 OUTLIER 'General case' 0 C--O 1.256 1.444 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.521 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -62.28 -13.36 27.55 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 124.67 1.188 . . . . 0.0 111.435 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -70.4 -52.77 19.99 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -82.89 -22.18 34.04 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -63.26 -46.54 86.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.23 0.538 . . . . 0.0 110.872 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.1 tpp -50.01 -41.21 46.76 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.71 0.767 . . . . 0.0 110.024 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.91 -37.8 85.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.33 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 64.3 mtt -59.95 -60.9 3.09 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.992 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.2 -38.4 18.17 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.283 0.364 . . . . 0.0 111.096 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -73.42 -32.04 64.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.156 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -66.54 -41.15 89.14 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.028 0.442 . . . . 0.0 111.458 -178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.5 mt -52.2 -55.09 23.39 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.262 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.36 -43.69 80.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.813 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.68 -43.05 86.37 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -68.92 -35.04 76.36 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.69 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.4 -30.68 70.7 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-O 121.071 0.462 . . . . 0.0 110.559 -178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.4 t -57.41 -36.57 71.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.765 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -64.36 -36.96 85.84 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.258 0.552 . . . . 0.0 110.499 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.51 -39.25 85.14 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.533 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -50.12 -42.44 50.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.642 0.735 . . . . 0.0 110.076 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -68.06 -48.35 65.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.949 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -49.97 -46.52 52.52 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.262 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.419 0 O-C-N 123.679 0.612 . . . . 0.0 109.753 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.8 p80 . . . . . 0 N--CA 1.472 0.658 0 CA-C-O 120.768 0.318 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -61.5 -39.78 92.2 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.75 -38.65 56.27 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.76 0.314 . . . . 0.0 110.395 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.6 m -63.82 -38.66 91.94 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.396 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -61.25 -42.57 98.85 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.492 0.663 . . . . 0.0 110.22 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.94 -42.39 94.71 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.43 0.633 . . . . 0.0 109.383 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.31 -25.19 64.1 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.603 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -62.42 -55.37 28.45 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.05 -40.69 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.432 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.73 -49.04 74.12 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -68.26 -36.54 79.6 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.792 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.6 mt -71.97 -37.57 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.176 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -62.36 -58.53 7.32 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.76 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -60.57 -58.06 10.09 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.331 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.677 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.81 -58.18 2.86 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.341 -175.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.74 -58.57 5.36 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 123.875 0.734 . . . . 0.0 111.796 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.57 -58.33 4.85 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.623 0.725 . . . . 0.0 110.254 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -79.42 23.84 0.38 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.689 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.748 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -105.82 -55.88 2.26 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.937 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 p30 2.89 47.46 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.619 0 O-C-N 125.827 1.954 . . . . 0.0 111.793 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.748 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -64.86 -51.6 61.15 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.85 -175.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.4 p-10 -77.28 -16.93 58.75 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.284 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.21 56.71 6.53 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.459 0.171 . . . . 0.0 111.181 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -104.17 -6.95 20.52 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 122.377 0.271 . . . . 0.0 110.424 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 61.14 6.25 1.26 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.754 0.822 . . . . 0.0 111.605 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.417 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 1.9 p80 -132.83 145.16 50.73 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.8 mt -124.44 113.14 17.76 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.947 0.779 . . . . 0.0 111.886 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -101.48 173.8 6.27 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.95 -51.09 17.79 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -52.83 -54.82 28.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 111.542 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 39.3 tp10 -60.21 -50.8 72.22 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.033 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -58.52 -59.57 5.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.845 0.355 . . . . 0.0 111.422 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 40.9 ttm180 -51.85 -55.8 17.81 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.936 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -63.18 -41.9 99.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -63.48 -54.09 41.81 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.295 0.372 . . . . 0.0 110.897 -178.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.86 -27.75 60.38 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.1 tttp -55.82 -47.39 77.27 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.176 -0.61 . . . . 0.0 112.435 -176.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.0 t -61.1 -3.0 0.71 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -92.85 9.48 35.14 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.783 0.433 . . . . 0.0 110.354 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.01 7.72 63.95 Favored Glycine 0 N--CA 1.473 1.108 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.41 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 1.7 m80 -88.59 138.02 31.8 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.7 148.9 21.8 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 65' ' ' ILE . 22.2 t0 -57.66 -33.32 68.19 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 110.55 -0.167 . . . . 0.0 110.55 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.17 -49.71 68.79 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.797 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.43 -27.74 68.07 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.188 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 68' ' ' VAL . 51.9 mt -63.6 -25.41 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -58.86 -29.47 66.99 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.23 -0.919 . . . . 0.0 110.068 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.86 -44.71 39.39 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.778 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 65' ' ' ILE . 3.2 m -67.33 -23.23 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.397 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -62.27 -65.84 0.63 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.795 0.331 . . . . 0.0 111.152 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.63 -17.22 1.19 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.154 0.582 . . . . 0.0 112.028 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -54.15 -56.72 15.45 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.362 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -115.64 2.63 13.78 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.132 0.573 . . . . 0.0 110.603 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -100.69 71.55 1.49 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.2 t -57.66 -54.09 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.641 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.22 -18.01 18.66 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.548 0.53 . . . . 0.0 109.676 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.546 ' C ' ' H ' ' A' ' 78' ' ' ARG . . . 36.71 66.49 0.48 Allowed Glycine 0 N--CA 1.475 1.25 0 O-C-N 123.959 0.787 . . . . 0.0 112.61 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.6 24.15 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.687 0.279 . . . . 0.0 110.66 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.546 ' H ' ' C ' ' A' ' 76' ' ' GLY . 14.0 tpp180 72.47 0.27 3.55 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.02 0.528 . . . . 0.0 110.294 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.51 139.55 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.4 mt -133.66 92.73 3.02 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -102.73 -167.21 1.36 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.38 -23.07 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.368 0 O-C-N 123.783 0.677 . . . . 0.0 112.502 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.67 -63.19 1.12 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.302 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -88.53 -24.19 22.98 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.177 0.591 . . . . 0.0 112.02 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -65.1 -43.25 92.68 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.59 -177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.2 ttt -55.05 -49.4 71.71 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.252 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -61.57 -40.91 96.42 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.252 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.7 ttp -62.54 -61.83 2.16 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.265 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.75 -44.85 38.99 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.634 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -58.26 -43.78 88.08 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.033 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.95 -43.57 87.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.972 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.44 -45.98 92.01 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.209 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.31 -40.35 93.66 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.64 -22.27 78.54 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -60.18 -40.61 90.58 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.964 0.411 . . . . 0.0 110.73 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -59.19 -44.28 92.2 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.715 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.3 m -59.4 -42.56 92.03 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.456 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.89 -44.69 94.08 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.109 0.481 . . . . 0.0 110.425 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.54 -36.01 70.84 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.402 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -54.16 -44.51 71.51 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.875 0.369 . . . . 0.0 110.238 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -69.66 -46.88 65.11 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.306 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -52.92 -46.66 68.17 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.205 0.526 . . . . 0.0 110.416 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.7 mt . . . . . 0 N--CA 1.469 0.49 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.709 -179.946 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.218 -0.578 0 CA-C-O 121.229 0.538 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.4 mmt -56.48 -48.92 76.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.292 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.49 -44.64 72.82 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.493 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 p -55.58 -42.29 74.53 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.128 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.84 -41.65 96.25 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.661 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -63.32 -45.15 92.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.873 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -70.33 -27.17 64.15 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.107 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -59.06 -53.94 52.68 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 123.83 0.706 . . . . 0.0 111.056 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.35 -40.6 88.97 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.094 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.73 -59.87 3.96 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.765 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.49 -27.63 67.72 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.387 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.1 mt -82.29 -37.15 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.641 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -51.89 -56.39 14.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.035 0.445 . . . . 0.0 110.928 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -63.17 -50.03 71.98 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.58 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.752 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -42.95 -60.08 1.75 Allowed 'General case' 0 C--O 1.205 -1.287 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.769 -173.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.3 pp -68.24 -56.44 8.68 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.768 0.667 . . . . 0.0 111.621 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.468 ' N ' HD12 ' A' ' 35' ' ' LEU . . . -48.05 -58.83 3.94 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.417 0.627 . . . . 0.0 109.989 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -79.07 25.03 0.3 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.202 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.821 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -110.19 -55.73 2.42 Favored 'General case' 0 CA--C 1.492 -1.251 0 CA-C-O 117.422 -1.275 . . . . 0.0 112.034 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' ALA . 16.8 p-10 0.8 48.49 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.586 0 O-C-N 125.77 1.919 . . . . 0.0 111.397 -177.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.821 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.6 -51.83 66.91 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.715 -174.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -87.22 -14.56 40.73 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.933 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 62.0 54.16 2.84 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.547 0.53 . . . . 0.0 111.051 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -100.65 -24.32 14.46 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 65.33 9.63 5.84 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 123.73 0.644 . . . . 0.0 111.41 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.516 ' CE1' ' H ' ' A' ' 80' ' ' LEU . 15.6 t-80 -121.66 136.91 54.93 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.3 mt -97.21 98.47 10.04 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -99.43 147.75 24.93 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -40.74 -48.77 3.05 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -51.55 -56.21 14.73 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.587 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.63 -52.01 66.96 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.36 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -59.68 -59.94 4.64 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.043 0.449 . . . . 0.0 111.221 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.529 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 3.7 tmt_? -53.81 -54.11 42.99 Favored 'General case' 0 C--O 1.207 -1.176 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.633 -177.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.67 -45.69 88.99 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -59.39 -53.41 58.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.895 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.54 -28.23 60.87 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.817 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 22.3 ttpp -57.67 -47.56 81.97 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.319 -178.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.15 -9.44 23.03 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 123.209 0.318 . . . . 0.0 111.156 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.46 23.6 0.62 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.36 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.7 81.26 Favored Glycine 0 N--CA 1.465 0.625 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.4 OUTLIER -99.47 148.92 23.74 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.73 171.67 14.29 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.418 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 48.4 t0 -77.17 -39.62 48.34 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.623 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.55 -44.58 23.89 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.57 77.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.568 -177.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.3 tp -65.49 -24.78 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.815 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.667 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.99 -39.18 77.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.754 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.78 94.17 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.972 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.37 -48.78 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.532 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -70.62 -57.46 4.7 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.002 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.41 -36.54 0.56 Allowed 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.394 0.616 . . . . 0.0 111.727 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -56.31 -9.92 0.79 Allowed 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.252 -0.885 . . . . 0.0 113.121 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -109.29 -5.69 15.79 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.456 0.702 . . . . 0.0 111.475 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.44 119.14 21.33 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.5 t -80.53 -58.71 3.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.283 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -115.79 11.64 15.67 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.438 0.461 . . . . 0.0 110.813 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.32 19.44 72.43 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -70.46 -13.22 62.03 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 63.65 28.8 15.11 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.5 t -144.16 118.69 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.516 ' H ' ' CE1' ' A' ' 45' ' ' HIS . 43.8 mt -137.66 108.43 6.65 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -89.15 -167.97 2.04 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.375 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.72 -15.08 2.67 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.409 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -62.23 -59.16 5.44 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.185 0.516 . . . . 0.0 112.149 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -83.6 -20.86 32.95 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.367 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -56.92 -35.96 69.62 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.674 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 70.5 mtp -58.24 -45.26 88.09 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -57.81 -40.02 78.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.729 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 53.8 mtt -59.14 -61.03 2.94 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.484 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.19 73.83 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.992 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -54.16 -48.68 70.63 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.147 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.94 -41.93 77.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.285 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.3 mt -69.11 -35.87 76.89 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.491 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -69.54 -42.49 74.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.964 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.37 -45.92 35.99 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -59.21 -40.31 85.41 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.76 0.314 . . . . 0.0 110.644 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.7 -46.5 75.38 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.437 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 38.7 t -69.08 -23.97 64.09 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.326 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -84.77 -24.65 28.66 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.86 -44.38 69.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.367 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 101' ' ' ASN . 24.6 p30 -47.22 -28.2 1.8 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.662 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.451 ' N ' ' OD1' ' A' ' 100' ' ' ASN . 78.0 m-20 -70.82 -47.46 59.3 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 121.704 0.764 . . . . 0.0 109.583 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -52.22 -42.78 63.84 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.496 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 103' ' ' LEU . 9.8 mp . . . . . 0 N--CA 1.471 0.607 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.347 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.4 t60 . . . . . 0 N--CA 1.466 0.354 0 CA-C-O 120.892 0.377 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.3 mtp -62.2 -47.2 85.51 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.11 0.481 . . . . 0.0 110.724 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.65 73.22 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.701 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.0 p -54.91 -45.78 74.77 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.067 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -62.06 -43.61 98.46 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.79 0.329 . . . . 0.0 111.02 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -65.8 -39.85 91.31 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.54 -40.13 95.03 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.693 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.82 -49.67 74.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.5 mt -58.54 -48.95 84.03 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.77 -30.99 64.17 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.465 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -85.74 -35.28 20.89 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.493 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.8 mt -82.21 -36.47 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.937 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -58.1 -57.46 12.75 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -62.12 -55.44 28.83 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 124.214 0.946 . . . . 0.0 110.236 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.756 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.82 -55.61 4.39 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.587 -176.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.522 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 3.4 tm? -70.34 -59.99 2.54 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 124.821 1.326 . . . . 0.0 111.141 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.43 -57.45 6.07 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 122.156 0.979 . . . . 0.0 110.402 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -76.11 27.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.14 -1.845 . . . . 0.0 110.149 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -113.57 -55.6 2.49 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.12 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' ALA . 61.6 m-20 8.74 49.21 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.741 0 O-C-N 125.809 1.943 . . . . 0.0 110.151 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.03 -51.96 67.4 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.306 -174.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -79.88 -14.91 58.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.388 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 52.67 55.74 8.62 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.748 0.308 . . . . 0.0 110.713 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -106.84 -15.12 14.81 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 68.59 8.24 6.57 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.618 0.574 . . . . 0.0 110.464 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.35 169.76 9.99 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mp -124.31 102.96 7.95 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.748 1.28 . . . . 0.0 111.24 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -102.91 141.58 35.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 52' ' ' ARG . 22.4 t80 -40.57 -47.6 2.73 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 124.549 1.156 . . . . 0.0 112.264 -177.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -50.81 -50.11 57.04 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.238 0.336 . . . . 0.0 111.495 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -59.45 -51.89 67.96 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.641 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -70.98 -18.55 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.092 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' PHE . 56.9 ttp180 -79.77 -62.46 1.68 Allowed 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -69.52 -37.09 77.0 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.895 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -60.14 -55.38 34.57 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.292 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.35 -32.57 68.68 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.565 -175.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -56.14 -48.2 76.71 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -60.47 -8.96 3.07 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.372 0.42 . . . . 0.0 111.43 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -85.67 21.22 1.9 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.694 0.398 . . . . 0.0 110.82 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.53 14.18 78.76 Favored Glycine 0 C--O 1.226 -0.397 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.442 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -104.2 154.83 19.29 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.17 167.93 15.26 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -78.05 -33.4 51.0 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.747 0.655 . . . . 0.0 111.928 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.75 -44.8 26.55 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.595 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -58.33 -42.99 88.01 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.177 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.3 pt -68.68 -23.7 28.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.475 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -61.8 -39.33 91.36 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.121 0.263 . . . . 0.0 110.692 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.35 87.76 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.753 0.658 . . . . 0.0 110.561 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 t -71.17 -36.61 63.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.472 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -75.69 -62.62 1.52 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.147 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.83 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.178 0.513 . . . . 0.0 111.926 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -55.04 -11.04 0.59 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.21 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -109.17 -5.55 15.91 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.646 0.378 . . . . 0.0 111.406 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -92.87 57.74 2.87 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.33 -45.22 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -69.47 -13.71 62.49 Favored 'General case' 0 C--O 1.23 0.046 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.23 12.04 68.39 Favored Glycine 0 C--N 1.341 0.826 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -89.65 -15.03 33.58 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 117.087 0.443 . . . . 0.0 110.285 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 71.84 35.52 1.35 Allowed 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.626 0.579 . . . . 0.0 112.182 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.494 ' C ' HD23 ' A' ' 80' ' ' LEU . 2.4 m -146.31 124.33 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -140.89 109.52 5.97 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.545 -178.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -99.41 -168.12 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.87 -17.23 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.177 0.591 . . . . 0.0 112.058 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -66.26 -61.45 2.01 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.747 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -86.24 -21.8 27.22 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.225 0.536 . . . . 0.0 111.158 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -60.97 -45.5 94.53 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.839 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -51.2 -46.58 62.22 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.131 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -59.04 -41.33 87.58 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.187 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.1 ttt -65.44 -60.07 3.34 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.445 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.72 -39.71 74.41 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.242 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -60.55 -51.27 70.13 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -70.41 -37.09 74.39 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.76 -44.66 95.63 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.148 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.24 -37.66 88.1 Favored 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.882 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.3 -27.45 59.69 Favored Glycine 0 C--N 1.339 0.7 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.71 -42.63 99.74 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.763 0.316 . . . . 0.0 110.19 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.05 -42.64 98.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.675 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.0 m -61.99 -42.04 98.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.267 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -62.76 -39.38 93.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.27 -42.07 69.24 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.079 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -44.91 80.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -63.93 -59.55 4.37 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.22 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -44.3 -34.0 1.79 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.352 0.596 . . . . 0.0 110.575 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 CA--C 1.536 0.408 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.724 179.708 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.8 t60 . . . . . 0 C--O 1.227 -0.103 0 CA-C-O 120.938 0.399 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 38.4 ttm -61.34 -38.94 88.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.72 -33.69 23.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.474 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.2 p -63.75 -37.21 86.53 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.032 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -57.29 -43.32 83.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.438 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -63.55 -44.83 93.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.3 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -68.65 -29.12 67.54 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.247 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.14 -59.25 5.71 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.333 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 pt -63.2 -38.62 82.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.52 -30.53 65.22 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.582 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -85.06 -34.64 22.22 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.29 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -82.29 -36.94 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.686 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -58.21 -58.72 7.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.473 0.483 . . . . 0.0 111.194 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -61.71 -56.12 23.03 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.778 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.741 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -44.38 -58.74 2.76 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.09 -175.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.7 tp -65.32 -59.54 3.94 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 124.611 1.194 . . . . 0.0 111.726 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.92 -54.08 13.85 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.564 0.697 . . . . 0.0 109.861 -176.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -83.36 23.75 0.88 Allowed 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.672 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.789 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -107.3 -55.26 2.36 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.353 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' ALA . 19.1 p-10 1.71 50.04 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.019 0 O-C-N 125.351 1.657 . . . . 0.0 110.962 -177.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.789 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.91 -51.01 69.91 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.571 -174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -91.87 -16.41 26.73 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.689 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 57.31 55.59 5.73 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 123.351 0.407 . . . . 0.0 111.79 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -99.06 -18.82 17.55 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 70.64 5.93 5.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.525 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -121.42 134.42 55.09 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 46' ' ' LEU . 4.2 mm? -85.18 114.79 22.56 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -104.79 134.66 47.55 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.419 -1.264 . . . . 0.0 108.246 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -44.88 -44.13 9.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.676 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -53.87 -52.73 59.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.932 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -62.43 -51.94 65.51 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.732 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.408 ' NE1' HD12 ' A' ' 55' ' ' LEU . 23.0 t-105 -60.45 -60.02 4.48 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.066 0.46 . . . . 0.0 110.981 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 7.1 tmm_? -50.87 -50.53 56.88 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.469 -177.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -66.1 -40.51 90.84 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.128 0.893 . . . . 0.0 111.699 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -60.91 -53.49 56.61 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.746 0.654 . . . . 0.0 111.218 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.408 HD12 ' NE1' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -74.89 -28.66 60.73 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.804 -176.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 88.2 tttt -55.42 -48.19 74.8 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -176.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.8 p -59.51 -4.15 0.57 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' A' ' 56' ' ' LYS . 33.0 mtp85 -100.32 13.2 35.19 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.498 0.499 . . . . 0.0 111.747 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.53 -20.78 25.37 Favored Glycine 0 N--CA 1.476 1.348 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -64.29 142.19 58.5 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.34 168.19 11.23 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -76.99 -33.64 57.57 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.8 0.688 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.82 -46.71 67.92 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -177.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.18 -40.66 96.58 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.8 pt -76.43 -22.38 15.33 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.832 0 O-C-N 123.189 0.306 . . . . 0.0 110.889 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -54.9 -40.73 70.13 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.454 0.471 . . . . 0.0 111.516 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.24 -31.9 66.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.994 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 t -84.74 -37.56 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -74.37 -36.79 63.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.86 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.72 -15.95 58.78 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 123.151 0.58 . . . . 0.0 111.768 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -56.62 -12.52 1.84 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -106.19 -2.08 22.89 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.336 0.254 . . . . 0.0 110.974 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.32 136.46 33.47 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -58.99 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.692 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -116.73 27.44 9.17 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.544 0.738 . . . . 0.0 110.662 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.15 39.75 98.06 Favored Glycine 0 C--N 1.343 0.945 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -74.17 -15.46 61.02 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.451 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 75.11 -0.22 3.36 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 124.502 1.126 . . . . 0.0 111.728 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.462 ' C ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -148.31 133.74 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.888 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -141.78 134.99 29.24 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.546 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -87.62 -168.06 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.329 0.585 . . . . 0.0 109.89 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.32 -14.9 0.11 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.285 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -68.32 -62.36 1.43 Allowed 'General case' 0 C--N 1.343 0.296 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.61 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.51 -21.97 26.66 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.898 0.479 . . . . 0.0 111.393 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -62.3 -38.9 91.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.493 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.5 ttm -53.51 -46.9 70.26 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -59.0 -39.57 82.23 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.258 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 28.2 ttt -64.69 -60.98 2.49 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.747 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.39 20.16 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.534 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -63.96 -47.39 80.63 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.293 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -61.24 -41.72 97.37 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.144 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.15 -38.31 87.81 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.976 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -72.22 -49.14 37.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.306 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.58 -17.73 60.44 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -58.33 -40.87 83.25 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.107 -0.547 . . . . 0.0 110.767 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.02 -56.13 25.75 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.931 0.396 . . . . 0.0 111.465 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 93.9 p -53.72 -41.92 67.54 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.326 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -59.86 -47.09 87.13 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.07 -32.7 61.56 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.467 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -57.67 -48.95 78.09 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.851 -0.339 . . . . 0.0 110.091 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 63.7 m-80 -69.28 -49.33 57.07 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.293 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -48.95 -44.94 41.19 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.209 0.528 . . . . 0.0 111.047 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 56.5 mt . . . . . 0 CA--C 1.511 -0.532 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.749 -179.059 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 120.698 0.285 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.7 mtt -71.51 -46.6 59.25 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.012 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.66 -35.01 12.88 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.986 0.422 . . . . 0.0 110.434 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.8 m -59.31 -38.09 79.4 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.581 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -60.96 -41.86 97.15 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.196 0.522 . . . . 0.0 110.422 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.407 HH21 ' CD1' ' A' ' 103' ' ' LEU . 38.4 ttm180 -60.99 -46.97 88.61 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.066 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -70.46 -27.68 64.42 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.429 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.93 -58.82 6.88 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 123.707 0.629 . . . . 0.0 111.211 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.83 -43.05 96.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.086 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.57 -57.79 9.48 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.811 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -31.93 72.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.677 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.7 mt -78.65 -36.9 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.83 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -57.91 -57.87 10.89 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.159 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -60.96 -54.98 38.29 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 123.914 0.759 . . . . 0.0 110.186 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.809 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.84 -57.4 3.29 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.279 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.553 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 24.7 tp -69.73 -59.25 3.07 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 124.221 0.951 . . . . 0.0 111.489 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -49.12 -58.29 5.22 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 122.19 0.995 . . . . 0.0 110.072 -176.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -72.58 24.44 0.06 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.801 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.809 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -116.24 -54.95 2.44 Favored 'General case' 0 CA--C 1.477 -1.831 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.4 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ALA . 61.2 m-20 6.82 50.1 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.559 0 O-C-N 125.663 1.852 . . . . 0.0 110.578 -178.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.678 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.61 -52.31 65.7 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.099 -173.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' ALA . 64.0 m-80 -90.3 18.67 5.81 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.92 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . 29.29 53.4 0.1 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.094 0.871 . . . . 0.0 109.833 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -95.68 -24.75 16.4 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.466 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 65.64 8.28 5.05 Favored 'General case' 0 CA--C 1.512 -0.491 0 O-C-N 124.095 0.872 . . . . 0.0 111.614 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.617 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -121.44 174.21 6.89 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.664 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 45' ' ' HIS . 6.7 mp -124.84 102.25 7.47 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.545 1.153 . . . . 0.0 112.083 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -104.13 142.84 33.78 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' ARG . 17.2 t80 -38.79 -48.96 1.58 Allowed 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 123.418 0.687 . . . . 0.0 112.543 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -47.67 -54.88 10.71 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.356 0.598 . . . . 0.0 111.447 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.41 -52.37 65.9 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.771 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.484 ' CE2' HD22 ' A' ' 55' ' ' LEU . 49.7 t-105 -69.16 -20.01 64.01 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.236 -178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' PHE . 5.6 tmm_? -81.78 -62.46 1.63 Allowed 'General case' 0 C--O 1.214 -0.775 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -70.67 -38.98 73.82 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.438 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -60.14 -54.39 46.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.894 -176.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.484 HD22 ' CE2' ' A' ' 51' ' ' TRP . 9.4 mp -76.18 -26.87 56.61 Favored 'General case' 0 CA--C 1.49 -1.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -176.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.74 -48.15 78.42 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 119.868 -0.733 . . . . 0.0 112.937 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.1 p -61.18 -6.34 2.01 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.895 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -89.07 18.38 5.0 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.74 7.95 77.47 Favored Glycine 0 C--O 1.223 -0.543 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -95.37 148.22 22.68 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.4 162.77 17.13 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.53 0.519 . . . . 0.0 109.622 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -71.3 -35.53 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.145 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.45 -46.29 20.12 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.271 0.558 . . . . 0.0 112.211 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -61.8 -39.13 90.66 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.411 HG13 ' HE1' ' A' ' 51' ' ' TRP . 2.8 tp -71.81 -26.67 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 CA-C-O 121.745 0.784 . . . . 0.0 111.614 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.62 -40.56 76.53 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.828 -176.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.0 -50.51 73.16 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.091 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.84 -27.81 28.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' LYS . 80.5 t80 -74.32 -62.16 1.61 Allowed 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.503 ' O ' ' OD1' ' A' ' 73' ' ' ASP . . . -40.83 -21.51 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 122.481 1.134 . . . . 0.0 111.098 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' PHE . 80.3 tttt -53.94 -11.95 0.5 Allowed 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.113 -0.992 . . . . 0.0 111.36 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -108.93 -7.59 15.39 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.503 ' OD1' ' O ' ' A' ' 70' ' ' ALA . 42.0 p30 -91.01 58.95 3.91 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.9 t -51.74 -46.91 39.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.803 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -73.45 -13.5 61.08 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.885 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.68 20.41 77.32 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -79.89 -15.33 57.56 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.322 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 ttm-85 80.17 0.49 2.02 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 124.704 1.253 . . . . 0.0 111.89 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.43 140.33 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.78 133.66 25.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -96.53 -168.34 1.71 Allowed 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.73 -16.6 0.13 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.751 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -64.42 -61.06 2.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.536 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -86.33 -22.43 26.72 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.045 0.538 . . . . 0.0 110.551 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -61.12 -36.48 79.84 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.566 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.0 ttp -58.22 -45.38 87.79 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.91 -39.4 85.29 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.283 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.0 ttp -58.83 -62.3 1.98 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.3 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.19 -48.72 54.01 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -39.46 67.15 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.369 0.604 . . . . 0.0 111.177 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.4 -42.23 79.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.62 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.53 -27.44 65.17 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.201 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -70.24 -42.78 71.78 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.437 0.461 . . . . 0.0 110.185 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.75 -39.84 90.01 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.35 -42.32 98.5 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.91 -49.84 75.82 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.808 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.9 p -68.9 -44.72 72.62 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.047 0.451 . . . . 0.0 110.449 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.83 -38.11 89.47 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.241 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.49 -44.91 89.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.471 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -53.63 -38.07 63.7 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.741 -178.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -68.56 -52.11 35.43 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.399 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -49.07 -40.28 31.08 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.09 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.407 ' CD1' HH21 ' A' ' 25' ' ' ARG . 69.6 mt . . . . . 0 CA--C 1.497 -1.081 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.3 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.9 t60 . . . . . 0 N--CA 1.471 0.617 0 CA-C-O 120.912 0.387 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.5 mmm -61.41 -49.45 76.81 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.945 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.45 -45.33 76.88 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.716 0.293 . . . . 0.0 110.451 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.6 t -55.8 -43.98 77.36 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.43 -44.63 95.57 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.768 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -66.14 -41.8 89.96 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.99 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.42 -39.5 94.65 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -57.65 -52.16 66.55 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.492 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.68 -47.91 84.57 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.78 -45.79 74.34 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.82 -36.74 64.98 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.927 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.5 mt -77.3 -38.88 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 122.565 0.346 . . . . 0.0 111.301 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.91 -57.34 13.07 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -62.0 -56.94 13.96 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.979 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.32 -56.32 3.59 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.638 -175.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 37.1 tp -67.37 -59.42 3.41 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 123.698 0.624 . . . . 0.0 111.335 178.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.41 -57.47 5.28 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 121.69 0.757 . . . . 0.0 110.16 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -78.73 25.26 0.27 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.418 -1.265 . . . . 0.0 109.71 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.681 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -109.55 -55.56 2.41 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.682 179.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' ALA . 15.0 p-10 4.46 51.07 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.618 0 O-C-N 125.683 1.865 . . . . 0.0 111.118 -177.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.17 -51.47 67.7 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.937 -174.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -85.64 -14.58 45.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.106 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 55.35 55.46 7.41 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.075 0.464 . . . . 0.0 110.599 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -102.29 -18.92 15.23 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.89 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 63.36 7.86 3.15 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.478 0.486 . . . . 0.0 111.778 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -122.66 138.17 54.68 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -90.04 100.49 13.3 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -95.92 137.09 35.49 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -44.47 -43.46 7.84 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -177.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -52.99 -55.57 22.56 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.45 -49.38 77.52 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -58.23 -59.63 5.02 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.843 0.354 . . . . 0.0 110.561 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -53.64 -54.17 41.57 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.979 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -62.69 -44.59 95.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.752 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -61.39 -54.12 47.82 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.287 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.12 -39.13 75.63 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.612 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -49.64 -47.82 49.66 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -175.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 60.8 m -60.7 -9.22 3.64 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -88.28 18.14 4.65 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.454 0.301 . . . . 0.0 110.66 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.9 10.91 77.89 Favored Glycine 0 N--CA 1.472 1.038 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -97.31 148.47 23.1 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.33 172.67 9.68 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.816 0.341 . . . . 0.0 110.132 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -75.95 -32.1 59.37 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.255 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.04 -43.52 24.06 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -60.69 -41.49 95.25 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 pp -69.4 -28.28 37.64 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.623 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -66.19 -43.67 86.14 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.82 76.15 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.935 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -72.73 -29.89 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.813 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -75.38 -63.35 1.3 Allowed 'General case' 0 C--N 1.346 0.43 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.11 -24.67 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -57.06 -10.84 1.26 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.786 1.234 . . . . 0.0 111.288 177.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -110.71 -9.38 14.51 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.785 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 78' ' ' ARG . 56.3 t0 -89.07 62.48 6.27 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.31 -45.0 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.415 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -70.33 -13.93 62.36 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.343 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.83 17.09 66.94 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.23 -15.07 32.1 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 119.664 -0.208 . . . . 0.0 110.508 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' H ' ' CG ' ' A' ' 73' ' ' ASP . 74.3 mtp180 67.99 41.03 2.15 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.803 0.69 . . . . 0.0 111.837 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.687 ' C ' HD22 ' A' ' 80' ' ' LEU . 13.6 p -146.28 119.33 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 79' ' ' VAL . 2.9 mm? -133.34 103.39 5.94 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.725 0.64 . . . . 0.0 110.249 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 21.3 p-10 -86.64 -168.79 2.37 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.379 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.39 -13.9 1.65 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.79 0.836 . . . . 0.0 112.824 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -65.19 -59.64 3.87 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.404 ' CD ' HD12 ' A' ' 80' ' ' LEU . 48.0 mt-10 -82.81 -19.86 36.87 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.402 0.681 . . . . 0.0 110.308 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -57.01 -36.04 69.94 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.825 0.345 . . . . 0.0 110.391 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.1 mtt -58.06 -44.91 87.74 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -57.36 -43.26 83.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.96 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 83.7 mtp -58.72 -61.46 2.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.743 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.53 -52.56 46.01 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.7 0.286 . . . . 0.0 111.049 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -54.1 -42.82 69.82 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.926 0.393 . . . . 0.0 111.364 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.19 -45.77 75.93 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.707 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.81 -32.52 73.86 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.999 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -65.89 -43.29 88.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.752 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.64 -44.8 88.87 Favored Glycine 0 N--CA 1.472 1.09 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -57.92 -42.36 84.61 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.564 0.221 . . . . 0.0 110.456 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.56 -48.13 83.13 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.5 m -62.2 -42.52 99.37 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.525 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -62.84 -39.51 94.57 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.573 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.2 mt -69.05 -41.79 77.17 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.051 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -57.31 -44.04 83.77 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.449 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -71.53 -52.65 17.12 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.428 0.455 . . . . 0.0 111.195 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -44.63 -37.5 3.67 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.333 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 70.0 mt . . . . . 0 N--CA 1.468 0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.769 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.0 mmt -62.09 -25.95 68.01 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.091 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.41 -37.33 62.41 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.389 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.0 p -64.47 -40.54 95.88 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.229 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.66 -43.47 84.99 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.312 0.577 . . . . 0.0 110.468 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -64.83 -39.06 92.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.91 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.09 -37.57 87.75 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.13 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.23 -50.55 73.17 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.332 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.0 mt -61.19 -48.29 89.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.67 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -31.23 64.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.354 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.85 -33.52 21.27 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.907 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -81.9 -35.55 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.877 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.17 -57.26 12.17 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.91 -59.07 5.66 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.477 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.749 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.09 -54.68 4.24 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-O 118.611 -0.709 . . . . 0.0 109.925 -175.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.495 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 2.2 tp -67.81 -59.91 2.93 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 124.15 0.906 . . . . 0.0 111.313 178.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.52 -56.42 7.13 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.585 0.707 . . . . 0.0 110.035 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.447 ' ND1' ' N ' ' A' ' 37' ' ' HIS . 2.2 m80 -78.59 27.48 0.21 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.175 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -114.15 -56.28 2.41 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 118.054 -0.974 . . . . 0.0 111.797 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 38' ' ' ALA . 15.9 p-10 6.92 51.18 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 O-C-N 125.55 1.781 . . . . 0.0 110.485 -177.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.83 -52.5 65.19 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.322 -175.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -81.05 -14.88 57.41 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.566 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 52.92 56.86 6.99 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.202 0.314 . . . . 0.0 110.944 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.1 p-10 -108.24 -15.5 14.47 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 64.84 8.18 4.42 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 46' ' ' LEU . 9.9 t-80 -122.92 136.88 55.02 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' N ' ' ND1' ' A' ' 45' ' ' HIS . 40.6 mt -92.81 102.68 15.07 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 123.793 0.683 . . . . 0.0 111.711 -178.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -102.03 142.03 33.96 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.5 t80 -38.43 -47.36 1.25 Allowed 'General case' 0 C--O 1.208 -1.116 0 O-C-N 124.464 1.102 . . . . 0.0 111.542 -177.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -49.29 -53.99 19.18 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.291 0.37 . . . . 0.0 111.337 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -59.77 -52.15 66.71 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.607 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -68.98 -20.27 64.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.153 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' PHE . 71.8 ttt-85 -81.33 -62.57 1.62 Allowed 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -70.41 -37.88 74.53 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.024 -174.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -59.51 -56.05 26.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.435 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.11 -33.24 69.97 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.058 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.86 -48.23 70.23 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.219 -0.593 . . . . 0.0 112.242 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.3 m -59.7 -10.02 3.29 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.501 0.501 . . . . 0.0 111.304 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -86.75 20.41 2.57 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 122.556 0.342 . . . . 0.0 110.868 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.28 12.86 78.04 Favored Glycine 0 N--CA 1.462 0.431 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -102.59 152.67 20.9 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.98 152.45 22.04 Favored 'General case' 0 C--O 1.224 -0.267 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -65.57 -32.33 73.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.52 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.09 -46.53 20.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.437 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.57 -40.06 78.11 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.378 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.9 mt -62.34 -22.9 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.709 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -63.29 -38.68 92.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.897 -177.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.87 80.41 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.031 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.93 -37.15 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.552 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -78.27 -61.94 1.84 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.693 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.77 -28.46 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.503 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -54.76 -10.69 0.49 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.359 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -112.03 -4.75 14.4 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.614 0.366 . . . . 0.0 111.883 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.483 ' CG ' ' H ' ' A' ' 78' ' ' ARG . 50.7 t0 -90.41 58.16 3.91 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.0 t -55.9 -46.44 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.228 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -69.92 -13.87 62.46 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.2 13.45 76.58 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.5 p30 -81.91 -14.49 56.09 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.74 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.483 ' H ' ' CG ' ' A' ' 73' ' ' ASP . 87.3 mtt-85 74.64 5.52 4.47 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 124.374 1.046 . . . . 0.0 111.74 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.8 m -144.18 134.94 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pp -142.79 133.66 25.51 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -98.33 -166.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 123.805 0.842 . . . . 0.0 109.776 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.33 -15.62 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.096 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -62.31 1.53 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.122 -178.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -86.51 -22.13 26.57 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.141 0.496 . . . . 0.0 111.377 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -62.29 -41.51 98.57 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.502 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.8 ttt -50.97 -47.05 61.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 111.489 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -61.1 -35.36 76.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.983 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.7 ttt -67.26 -59.51 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.497 0.498 . . . . 0.0 110.542 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.28 -38.89 63.5 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.176 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -45.44 84.2 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.545 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.87 -37.82 88.4 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 121.361 -0.136 . . . . 0.0 110.928 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.96 -34.55 78.01 Favored 'General case' 0 CA--C 1.506 -0.718 0 O-C-N 123.443 0.465 . . . . 0.0 110.672 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -68.19 -43.36 78.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.717 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.84 -29.26 67.51 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.82 -42.95 99.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.861 0.363 . . . . 0.0 110.495 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -59.55 -45.33 92.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.481 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.1 t -63.55 -43.43 97.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.519 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -61.64 -41.03 96.93 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.515 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.2 mt -65.66 -43.93 87.85 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.325 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -44.21 65.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.546 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -67.43 -51.99 45.03 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.553 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -49.9 -42.59 48.34 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.845 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 103' ' ' LEU . 4.4 mm? . . . . . 0 CA--C 1.492 -1.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.744 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 121.377 0.608 . . . . 0.0 110.2 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -35.33 78.43 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.99 -34.35 42.15 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.657 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.7 t -63.32 -40.01 96.13 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.655 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -62.64 -42.91 99.86 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.34 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -63.76 -44.54 93.17 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.089 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -67.04 -31.78 72.54 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.011 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -58.81 -51.46 69.89 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.489 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.2 mm -63.7 -45.47 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.313 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.32 -29.06 60.8 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.432 ' O ' ' NH1' ' A' ' 58' ' ' ARG . 76.0 m-20 -83.88 -32.57 25.12 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.11 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -78.98 -33.95 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.329 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -61.37 -59.14 5.73 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.092 0.245 . . . . 0.0 111.46 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.79 -57.24 13.74 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 123.555 0.534 . . . . 0.0 109.911 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.802 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -44.14 -56.78 3.81 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.86 -175.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 21.4 tp -68.99 -59.48 3.01 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 124.471 1.107 . . . . 0.0 111.21 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.54 -59.53 3.43 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 121.424 0.63 . . . . 0.0 110.883 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -78.27 27.21 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.315 -1.312 . . . . 0.0 109.406 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.802 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -110.47 -56.74 2.31 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 117.846 -1.073 . . . . 0.0 111.696 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 6.45 48.33 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.748 0 O-C-N 126.031 2.082 . . . . 0.0 110.653 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.7 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.38 -51.4 67.72 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.331 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -83.96 -15.3 48.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.855 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 54.2 56.2 7.28 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.85 0.357 . . . . 0.0 110.771 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -104.12 -16.87 15.12 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.838 0.455 . . . . 0.0 110.166 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 65.29 9.53 5.73 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.718 0.636 . . . . 0.0 112.071 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.561 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -120.29 174.85 6.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.0 mt -122.89 99.67 6.51 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.937 0.773 . . . . 0.0 111.932 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -99.5 137.88 37.37 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -43.88 -47.29 8.29 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -177.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -53.48 -55.1 28.16 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.305 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.56 -51.58 68.82 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.442 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.541 ' HE1' HG23 ' A' ' 65' ' ' ILE . 30.6 t-105 -59.83 -60.08 4.41 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.595 0.236 . . . . 0.0 111.049 -178.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 59.3 ttp180 -53.08 -53.66 46.95 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.064 -176.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.79 -45.3 90.32 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 123.677 0.611 . . . . 0.0 112.307 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -60.41 -51.11 70.89 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.91 0.386 . . . . 0.0 110.988 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -24.22 51.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.177 -176.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 39.6 ttpt -60.64 -48.25 82.62 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 123.499 0.499 . . . . 0.0 112.096 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.5 p -62.92 -8.08 6.42 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.192 0.307 . . . . 0.0 111.413 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 30' ' ' ASP . 4.0 tpt180 -85.64 24.48 1.21 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.362 0.413 . . . . 0.0 111.647 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.14 10.23 84.09 Favored Glycine 0 N--CA 1.467 0.715 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -100.13 149.72 23.23 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.17 170.48 13.74 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.473 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.19 -36.57 54.81 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.2 -43.98 27.04 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -56.89 -42.39 79.76 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.541 HG23 ' HE1' ' A' ' 51' ' ' TRP . 95.7 mt -59.72 -23.52 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.624 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -64.57 -42.45 95.64 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 123.305 0.378 . . . . 0.0 110.548 -178.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.78 74.94 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.947 0.403 . . . . 0.0 111.099 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.13 -41.42 84.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.237 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -74.22 -61.44 1.86 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.297 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.1 -29.76 0.08 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.134 0.574 . . . . 0.0 112.032 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -56.51 -10.3 0.93 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.007 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -112.17 -6.73 14.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.111 0.564 . . . . 0.0 111.787 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -89.11 59.46 4.96 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.3 m -53.46 -43.63 53.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.361 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -73.72 -14.72 61.18 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.4 23.83 70.42 Favored Glycine 0 C--N 1.348 1.197 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.9 p30 -90.23 -14.4 33.47 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 119.472 -0.299 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 72.39 5.67 5.32 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 124.067 0.854 . . . . 0.0 111.264 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.25 127.62 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.22 135.16 30.45 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.746 0.818 . . . . 0.0 108.95 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -103.04 -168.18 1.48 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.809 0.844 . . . . 0.0 109.22 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.78 -17.09 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -67.62 -61.62 1.8 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -86.5 -21.83 26.74 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.466 0.706 . . . . 0.0 111.143 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -58.88 -33.75 70.85 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.007 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 39.1 ttm -59.44 -47.78 84.16 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -58.59 -38.61 78.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.596 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.5 ttt -67.09 -57.07 7.49 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.367 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.88 -34.1 65.2 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.93 -50.96 70.05 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.29 -36.68 84.48 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.15 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.67 -27.38 65.93 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.649 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -78.05 -49.21 14.43 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.831 0.348 . . . . 0.0 110.178 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.08 -17.74 66.03 Favored Glycine 0 N--CA 1.469 0.838 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -59.61 -39.81 85.48 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.96 0.409 . . . . 0.0 110.599 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -57.54 -53.22 60.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.761 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 96.6 p -55.66 -42.91 75.75 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.409 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.31 -49.3 77.57 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.562 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.4 mt -62.86 -42.1 99.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.039 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -53.62 -50.85 64.8 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.707 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.438 ' H ' HD22 ' A' ' 101' ' ' ASN . 3.0 m-80 -71.02 -39.47 72.33 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.122 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.91 -52.34 63.45 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.789 0.328 . . . . 0.0 111.03 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 N--CA 1.474 0.74 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.252 -178.729 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.3 t60 . . . . . 0 CA--C 1.537 0.465 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 68.0 mtt -65.17 -32.4 74.07 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.289 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.23 -32.02 46.19 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.39 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.2 t -66.03 -43.35 87.86 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.701 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -65.27 -41.91 93.72 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.774 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -64.08 -44.73 91.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.032 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -68.22 -25.83 65.4 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.966 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -61.14 -48.7 80.4 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.854 -179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.21 -45.49 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.933 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.75 -53.95 51.83 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.89 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -57.51 -31.57 66.16 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.3 mt -82.38 -31.67 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.835 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -62.32 -58.65 6.92 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.949 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -63.49 -57.29 10.69 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.46 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.725 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.2 -56.24 3.55 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 119.101 -0.475 . . . . 0.0 110.452 -175.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.6 tp -68.47 -58.99 3.5 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 123.775 0.672 . . . . 0.0 111.021 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.92 -58.86 3.85 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.357 0.599 . . . . 0.0 111.015 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -76.68 24.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.601 -1.182 . . . . 0.0 110.048 179.109 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -112.83 -55.5 2.52 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.263 178.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' ALA . 65.8 m-20 15.29 49.86 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 124.903 1.377 . . . . 0.0 109.909 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -56.47 -52.82 63.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.957 -174.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -73.23 -13.93 61.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.27 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 44.85 55.3 6.13 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.052 0.453 . . . . 0.0 110.628 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -119.71 -4.32 10.25 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.004 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 66.7 8.21 5.75 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.622 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -121.08 170.66 9.32 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tp -124.82 101.77 7.24 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 124.076 0.86 . . . . 0.0 111.118 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -98.26 136.83 37.89 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -40.76 -45.96 2.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.725 0.64 . . . . 0.0 112.194 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -53.78 -55.11 29.32 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.714 0.634 . . . . 0.0 110.974 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -58.58 -53.29 60.0 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.875 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.5 ' HE1' ' CG2' ' A' ' 65' ' ' ILE . 26.0 t-105 -58.85 -59.68 5.05 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.869 0.366 . . . . 0.0 110.671 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.55 ' NH1' HE21 ' A' ' 53' ' ' GLN . 43.2 ttt-85 -49.08 -55.32 12.54 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.849 -177.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.55 HE21 ' NH1' ' A' ' 52' ' ' ARG . 46.8 mm-40 -64.41 -42.59 95.97 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.965 0.791 . . . . 0.0 111.59 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -60.18 -55.18 36.98 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.09 -176.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -27.75 64.23 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.778 -175.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -58.34 -50.53 73.31 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.1 p -55.74 -11.55 1.0 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.008 0.432 . . . . 0.0 112.135 -176.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -84.45 23.15 1.15 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.236 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.2 24.3 61.65 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.749 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -107.59 154.69 21.05 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.1 171.19 9.43 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.485 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 29.6 t0 -76.23 -32.16 58.76 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.023 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.03 -44.07 27.56 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.879 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.92 -36.98 78.18 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.162 0.506 . . . . 0.0 110.823 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.5 ' CG2' ' HE1' ' A' ' 51' ' ' TRP . 97.5 mt -71.97 -38.41 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.326 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -55.3 -39.83 70.36 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.693 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.45 -46.3 89.14 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.773 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.8 t -61.84 -50.99 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.703 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -62.45 -54.71 36.11 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 123.272 0.357 . . . . 0.0 110.078 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.94 -43.12 2.02 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.277 0.56 . . . . 0.0 110.352 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -49.69 -12.44 0.07 Allowed 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -115.86 -0.1 12.97 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.627 0.771 . . . . 0.0 111.717 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -84.79 57.7 4.54 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.553 0.216 . . . . 0.0 110.576 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 75' ' ' ASP . 29.2 m -46.54 -47.29 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 74' ' ' VAL . 7.3 p30 -115.17 -16.0 11.6 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.68 35.89 76.08 Favored Glycine 0 C--N 1.341 0.817 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -69.21 -1.29 7.57 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 72.53 26.4 2.53 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.283 0.633 . . . . 0.0 111.542 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 79' ' ' VAL . 14.7 p -147.04 118.97 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 177.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.81 140.67 47.82 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.96 151.66 31.49 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.57 85.62 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.357 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -74.1 -32.91 63.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.318 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -56.56 -38.46 71.96 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -59.78 -41.85 92.03 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.686 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.8 ttt -59.99 -50.97 71.66 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.84 -43.39 81.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.948 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 91' ' ' ASP . 35.6 ttm -58.45 -62.44 1.85 Allowed 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.96 -44.68 7.35 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.196 0.522 . . . . 0.0 111.202 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -65.31 -36.47 84.15 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.809 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' MET . 22.1 t70 -61.06 -49.2 78.32 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.077 0.465 . . . . 0.0 110.243 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mp -53.22 -57.92 8.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.513 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.62 -48.91 68.0 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.271 0.557 . . . . 0.0 109.938 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -47.3 -40.08 14.49 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.895 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -82.71 -35.08 27.03 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.617 0.367 . . . . 0.0 110.08 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.93 -40.8 73.66 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.939 0.4 . . . . 0.0 110.163 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.0 t -62.01 -41.7 98.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.666 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.83 -43.19 98.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.408 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mp -67.66 -43.07 81.12 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.757 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -53.2 -47.34 69.0 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.565 0.221 . . . . 0.0 110.595 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.563 ' H ' HD22 ' A' ' 101' ' ' ASN . 1.6 m-80 -69.37 -50.9 41.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.717 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -53.12 -47.46 68.64 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.221 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.9 tt . . . . . 0 C--N 1.347 0.494 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.325 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 120.847 0.356 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.2 mmt -61.81 -61.36 2.56 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.587 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.64 75.65 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.729 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.7 p -55.9 -41.81 75.07 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.059 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -57.39 -45.78 84.13 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.355 0.597 . . . . 0.0 110.677 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -64.98 -38.91 92.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.316 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.4 -40.11 95.43 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.276 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HZ2' ' CD2' ' A' ' 60' ' ' HIS . 63.1 mmtt -60.42 -49.52 77.26 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.687 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.9 -49.41 84.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.58 -33.97 64.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -85.52 -33.95 21.66 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.122 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.0 mt -80.67 -39.15 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.09 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.68 -56.38 22.53 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.111 -177.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -62.4 -56.6 16.73 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.756 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -44.59 -53.72 6.84 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.037 -176.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 5.1 tp -69.77 -59.08 3.17 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.189 0.931 . . . . 0.0 111.299 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.35 -57.59 5.81 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.586 0.707 . . . . 0.0 110.229 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.406 ' ND1' ' O ' ' A' ' 37' ' ' HIS . 0.7 OUTLIER -76.26 25.47 0.13 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.085 178.103 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -112.95 -55.45 2.52 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.767 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' ALA . 17.2 p-10 6.16 49.5 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 O-C-N 125.601 1.813 . . . . 0.0 110.557 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.68 -52.0 66.98 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.433 -174.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -83.74 -15.09 49.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.536 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 56.9 55.16 6.4 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.014 0.435 . . . . 0.0 110.868 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.406 ' CG ' ' ND1' ' A' ' 45' ' ' HIS . 2.0 p30 -104.23 -20.31 13.83 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.778 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 66.98 8.98 6.53 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.183 0.302 . . . . 0.0 111.03 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.406 ' ND1' ' CG ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -121.73 171.67 8.7 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.4 mt -126.52 104.28 8.05 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.207 0.942 . . . . 0.0 112.377 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -102.82 142.16 34.41 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.17 -48.59 4.84 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -50.75 -56.12 13.5 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.903 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -52.27 62.87 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.013 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -58.41 -60.35 3.93 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.434 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 3.7 tmt_? -53.3 -51.7 61.47 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.609 -178.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.47 -45.31 87.95 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -59.33 -52.44 65.62 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.692 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.01 -24.69 55.28 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.571 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.3 tttm -59.14 -48.22 82.41 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.614 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.39 -8.96 10.23 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.206 -177.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -81.65 23.93 0.62 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.03 10.95 82.11 Favored Glycine 0 N--CA 1.467 0.718 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.454 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -99.06 148.25 24.23 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.71 173.6 11.76 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -77.95 -41.06 37.48 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.096 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.73 -46.24 19.4 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -54.22 -45.26 72.22 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.097 0.475 . . . . 0.0 112.023 -176.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.4 tt -63.96 -22.51 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.468 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.9 -41.84 78.81 Favored 'General case' 0 C--O 1.222 -0.372 0 O-C-N 123.354 0.409 . . . . 0.0 110.809 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.35 -39.67 81.79 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.784 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.07 -45.08 80.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.178 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -72.91 -61.22 1.89 Allowed 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.239 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.18 -29.18 0.07 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.76 0.424 . . . . 0.0 111.651 -176.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -55.87 -10.89 0.85 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.872 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.18 -5.07 16.08 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.669 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.55 56.63 1.55 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 75' ' ' ASP . 34.6 m -54.44 -43.94 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.427 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 74' ' ' VAL . 65.3 m-20 -76.24 -14.67 60.13 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.979 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.43 9.32 42.94 Favored Glycine 0 C--N 1.343 0.952 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -75.52 -5.64 46.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 119.129 -0.462 . . . . 0.0 110.464 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 60.73 27.14 16.9 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.651 0.595 . . . . 0.0 111.638 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.537 ' C ' HD23 ' A' ' 80' ' ' LEU . 89.7 t -146.23 121.07 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 120.985 0.422 . . . . 0.0 110.197 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.593 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -139.98 109.66 6.32 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.126 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -99.23 -167.62 1.5 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.71 -16.84 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.129 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -65.85 -60.68 2.63 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.076 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -85.24 -21.93 28.87 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -56.27 -33.42 65.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 41.0 ttp -59.84 -46.5 89.05 Favored 'General case' 0 C--N 1.343 0.297 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -53.93 -43.0 69.43 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.484 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttp -65.12 -58.28 6.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.77 81.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.428 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -62.22 -36.47 82.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.736 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -86.56 -38.33 17.28 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.977 0.417 . . . . 0.0 110.158 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.07 -44.81 96.82 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.715 -176.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.52 -37.81 85.08 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.673 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.46 -45.53 77.61 Favored Glycine 0 C--N 1.343 0.919 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -54.8 -41.17 70.27 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -59.83 -49.64 76.91 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 m -63.92 -42.2 97.46 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -62.9 -38.47 91.07 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.593 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.09 -41.61 81.59 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -56.84 -43.55 81.21 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.739 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -71.22 -49.33 44.59 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.394 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -48.69 -42.26 34.28 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.195 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 CA--C 1.517 -0.317 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.642 179.665 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.905 0.383 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -58.93 -33.68 70.86 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.323 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.46 -40.43 37.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.366 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t -55.06 -41.13 71.09 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.676 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -63.53 -39.15 93.67 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.259 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 16.0 mmp_? -66.0 -40.63 91.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.913 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.66 -45.41 65.14 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.775 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -52.83 -56.9 12.41 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.482 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.9 -51.7 64.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.376 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.71 -30.77 61.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.402 0.439 . . . . 0.0 110.012 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -86.36 -32.51 20.94 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.2 mt -84.57 -38.43 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 O-C-N 123.63 0.581 . . . . 0.0 111.395 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -54.04 -57.5 10.8 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.753 0.658 . . . . 0.0 110.992 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.68 -54.69 35.51 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.762 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.794 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -40.18 -58.68 1.42 Allowed 'General case' 0 C--O 1.196 -1.734 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.943 -176.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 43.1 tp -67.72 -60.72 2.31 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 123.902 0.751 . . . . 0.0 111.958 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.06 -56.18 5.93 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 122.168 0.985 . . . . 0.0 109.31 -179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -78.09 27.55 0.19 Allowed 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.915 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.794 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -117.46 -55.42 2.31 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-O 117.848 -1.072 . . . . 0.0 111.797 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.525 ' C ' ' O ' ' A' ' 38' ' ' ALA . 68.3 m-20 4.91 52.93 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 124.904 1.378 . . . . 0.0 110.916 -176.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.742 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.46 -52.41 65.71 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.158 -175.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -78.2 -14.94 59.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.212 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 50.62 56.33 8.13 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 123.706 0.629 . . . . 0.0 110.986 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -106.5 -11.02 16.04 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.163 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 65.86 6.26 3.88 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.26 0.35 . . . . 0.0 111.178 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -121.43 134.4 55.09 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 46' ' ' LEU . 10.0 mp -86.98 107.93 18.61 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.452 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -103.95 135.56 45.24 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 125.171 1.544 . . . . 0.0 107.697 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 43.8 t80 -38.81 -47.35 1.39 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -45.38 -57.94 3.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 123.65 0.594 . . . . 0.0 112.026 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -54.0 -46.12 71.68 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.391 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.416 ' CE2' HD22 ' A' ' 55' ' ' LEU . 46.6 t-105 -70.94 -19.76 62.53 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' PHE . 18.2 ttm180 -81.69 -63.24 1.43 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -70.15 -38.57 75.51 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -176.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -57.86 -55.4 35.41 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 124.078 0.861 . . . . 0.0 112.819 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.9 mp -71.93 -32.64 67.53 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.605 -177.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -54.47 -47.28 73.14 Favored 'General case' 0 C--N 1.312 -1.03 0 O-C-N 123.687 0.617 . . . . 0.0 112.089 -176.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 75.5 m -63.32 -10.25 15.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.135 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -84.98 22.03 1.48 Allowed 'General case' 0 C--O 1.243 0.717 0 O-C-N 123.749 0.656 . . . . 0.0 111.375 -179.117 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.86 8.25 84.54 Favored Glycine 0 N--CA 1.461 0.327 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -101.01 152.45 20.56 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.16 173.86 9.53 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.792 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.38 -32.97 49.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.259 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.7 -44.92 22.45 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.32 -42.88 78.36 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.1 pt -63.51 -21.7 29.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.696 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.18 -40.91 82.15 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.667 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.46 69.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.586 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.17 -28.78 42.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -81.12 -63.03 1.49 Allowed 'General case' 0 CA--C 1.504 -0.792 0 O-C-N 123.496 0.498 . . . . 0.0 110.23 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.06 -32.59 0.1 Allowed 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -52.95 -11.03 0.2 Allowed 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -109.03 -8.33 15.21 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 124.188 0.93 . . . . 0.0 112.095 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -89.72 59.44 4.66 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 75' ' ' ASP . 15.0 p -52.9 -46.24 52.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.264 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.535 ' N ' HG13 ' A' ' 74' ' ' VAL . 16.3 p30 -80.36 -14.77 58.07 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.99 12.11 70.92 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -81.19 -15.08 56.78 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.304 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 67.64 31.48 6.04 Favored 'General case' 0 C--O 1.243 0.727 0 O-C-N 124.33 1.019 . . . . 0.0 112.042 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -137.01 119.11 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mp -134.62 102.82 5.43 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 123.828 0.705 . . . . 0.0 111.537 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 26.2 t70 -100.51 -167.46 1.44 Allowed 'General case' 0 CA--C 1.507 -0.698 0 O-C-N 124.074 0.859 . . . . 0.0 108.993 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.508 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -44.91 -18.42 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 O-C-N 123.146 0.279 . . . . 0.0 111.427 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 81' ' ' ASP . 0.8 OUTLIER -68.27 -62.49 1.37 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.024 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -87.32 -23.02 24.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.47 0.481 . . . . 0.0 111.119 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.87 -42.44 99.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.97 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.9 mmt -56.28 -45.59 80.07 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.156 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.12 -39.09 85.05 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.623 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.1 ttp -66.25 -59.39 3.78 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.09 -32.35 54.61 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.817 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -64.3 -45.8 86.37 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.376 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -65.85 -35.24 80.12 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.704 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.18 -33.35 74.29 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.676 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -73.13 -44.16 60.59 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 124.044 0.84 . . . . 0.0 110.506 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.77 -50.21 43.65 Favored Glycine 0 N--CA 1.465 0.594 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -54.44 -38.11 65.93 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.644 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -64.16 -42.76 96.61 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.6 m -67.0 -32.15 73.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.107 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -64.78 -18.8 65.4 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.745 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.99 -38.51 91.45 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.011 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -55.42 -52.47 63.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.731 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -69.87 -43.91 70.86 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -61.13 -52.32 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.96 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.321 -0.665 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.879 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 120.689 0.281 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 62.7 mtt -60.88 -34.25 74.34 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.014 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.85 -37.6 14.29 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.952 0.406 . . . . 0.0 110.448 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -59.82 -41.73 91.94 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.385 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.72 -41.01 97.06 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.991 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -60.95 -48.66 80.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.936 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -34.92 76.84 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.223 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -53.68 -58.24 7.92 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.353 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.1 -44.73 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.167 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.87 -32.45 53.22 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.861 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -84.62 -38.62 19.65 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.648 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.2 -41.09 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.035 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -59.4 -59.59 5.2 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.894 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.62 -57.6 12.03 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.394 0.434 . . . . 0.0 110.468 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.714 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.4 -60.05 1.88 Allowed 'General case' 0 C--O 1.209 -1.053 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.279 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 38.3 tp -67.2 -59.59 3.31 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.16 0.913 . . . . 0.0 111.565 178.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.24 -58.27 5.32 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.705 0.764 . . . . 0.0 109.771 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -76.15 23.44 0.14 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.506 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.754 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -106.88 -56.8 2.15 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.835 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 7.68 43.71 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.601 0 O-C-N 125.62 1.825 . . . . 0.0 111.175 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.754 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.78 -52.97 61.13 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.519 -174.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -82.72 -16.94 46.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.915 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 46.98 57.88 5.28 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.622 0.249 . . . . 0.0 111.178 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -106.0 -9.26 17.14 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.657 0.383 . . . . 0.0 110.702 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 64.06 5.34 2.38 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.868 0.867 . . . . 0.0 111.287 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.432 ' C ' HD22 ' A' ' 46' ' ' LEU . 61.3 m80 -127.03 137.02 52.99 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.432 HD22 ' C ' ' A' ' 45' ' ' HIS . 4.5 mm? -115.68 84.05 2.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.584 0.707 . . . . 0.0 111.495 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.18 156.89 23.91 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -46.4 -43.47 16.35 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 123.738 0.649 . . . . 0.0 112.195 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -54.06 -55.52 26.69 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.847 0.356 . . . . 0.0 111.254 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -57.26 -47.75 80.62 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.26 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -60.8 -56.93 15.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.149 0.5 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -50.78 -53.87 28.26 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.547 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.93 -42.21 94.88 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 123.794 0.684 . . . . 0.0 112.304 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.92 -56.06 25.6 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.221 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mp -72.31 -27.93 62.76 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.468 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.74 -49.53 70.59 Favored 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.856 -0.528 . . . . 0.0 112.285 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.585 ' C ' ' HE ' ' A' ' 58' ' ' ARG . 49.2 t -58.38 -8.59 1.22 Allowed 'General case' 0 CA--C 1.538 0.484 0 O-C-N 123.598 0.561 . . . . 0.0 112.119 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.585 ' HE ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -87.41 15.95 5.95 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 110.189 -0.301 . . . . 0.0 110.189 -179.302 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.12 15.99 73.21 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -101.92 145.48 29.18 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.17 159.63 15.2 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.616 ' O ' HG22 ' A' ' 65' ' ' ILE . 15.4 p-10 -68.53 -22.61 64.5 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.193 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.03 -47.44 28.99 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.401 0.62 . . . . 0.0 110.66 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -69.51 -24.98 63.83 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.197 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 62' ' ' ASP . 3.2 tp -51.63 -25.42 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-O 121.555 0.693 . . . . 0.0 111.696 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -65.2 -29.81 70.65 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.918 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.46 -54.34 17.6 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.66 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.8 m -65.47 -23.95 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.558 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -65.56 0.66 Allowed 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.971 0.415 . . . . 0.0 110.868 -177.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.74 -17.01 1.95 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.49 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -53.47 -57.38 10.87 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.285 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' VAL . 70.7 m-85 -102.83 -42.85 5.72 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.98 66.68 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.083 0.865 . . . . 0.0 110.762 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' TYR . 7.2 p -71.79 -10.55 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.381 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -70.03 -14.34 62.64 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.0 3.44 6.14 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -86.18 -0.63 56.16 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.682 0.393 . . . . 0.0 110.167 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 56.48 19.04 3.85 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.64 0.587 . . . . 0.0 110.455 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.03 150.48 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 122.004 0.907 . . . . 0.0 109.43 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.52 140.89 33.57 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -81.13 -172.99 4.05 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.207 0.527 . . . . 0.0 110.114 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.01 -35.9 74.04 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.926 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -71.55 -57.58 4.28 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.047 -178.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -51.18 -29.34 13.58 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -66.84 -45.71 77.36 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.61 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 39.8 ttm -52.69 -45.98 67.09 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.728 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.34 -36.0 82.71 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.337 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.1 ttt -60.5 -59.66 5.05 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.062 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.98 -39.09 65.72 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.811 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -60.31 -48.56 81.23 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.989 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -59.94 -35.2 74.42 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.842 0.353 . . . . 0.0 110.959 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.7 -41.85 82.92 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.585 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.72 -40.11 93.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.43 -49.81 48.64 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -45.59 -37.57 5.67 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.375 0.607 . . . . 0.0 110.451 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -60.42 -44.62 95.58 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.286 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.9 t -62.59 -40.81 98.07 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.412 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -64.73 -38.63 91.66 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.46 -42.86 91.86 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -50.24 -38.26 39.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -68.84 -47.98 64.64 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.651 178.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -52.37 -46.61 66.24 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 120.903 0.382 . . . . 0.0 110.285 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 77.7 mt . . . . . 0 N--CA 1.467 0.388 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.721 179.846 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.42 ' ND1' ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 55.1 mtt -67.09 -31.33 71.75 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.177 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -52.52 65.31 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.539 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.3 p -65.4 -43.96 88.99 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.299 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -61.22 -44.15 97.73 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.978 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -69.85 -45.18 68.35 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.231 0.539 . . . . 0.0 109.921 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.47 -16.32 64.15 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.438 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -54.19 -27.91 37.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.324 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.04 -24.49 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.805 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.93 -33.24 23.54 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.376 0.422 . . . . 0.0 110.98 -178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -85.11 -33.4 22.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.424 HG12 HD21 ' A' ' 55' ' ' LEU . 32.8 mt -72.01 -40.85 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.777 -178.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -56.12 -58.57 7.36 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.67 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -60.32 -54.16 49.05 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.964 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.741 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.03 -60.37 1.66 Allowed 'General case' 0 C--O 1.203 -1.393 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.077 -174.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 35.1 tp -66.94 -58.17 5.49 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.947 0.779 . . . . 0.0 111.962 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.19 -59.05 3.43 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.355 0.598 . . . . 0.0 110.187 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -79.94 22.97 0.47 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.613 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -104.11 -53.8 2.67 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 118.944 -0.551 . . . . 0.0 111.254 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -37.0 68.06 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 125.001 1.438 . . . . 0.0 112.314 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.723 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -82.88 -29.92 28.96 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.084 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -92.74 -17.23 24.46 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 123.859 0.724 . . . . 0.0 111.726 -176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 61.97 55.69 2.49 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -91.16 -23.89 20.12 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 61.72 4.42 1.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.437 1.095 . . . . 0.0 112.046 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.499 ' C ' HD22 ' A' ' 46' ' ' LEU . 8.5 t-80 -129.41 134.58 47.92 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.499 HD22 ' C ' ' A' ' 45' ' ' HIS . 4.5 mm? -113.82 104.33 12.08 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 124.214 0.946 . . . . 0.0 110.762 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -79.77 158.01 26.96 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 176.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -48.98 -44.21 40.75 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -52.61 -55.74 20.25 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.191 0.519 . . . . 0.0 111.209 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -54.41 -43.19 71.27 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.279 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.426 ' CZ2' HD12 ' A' ' 55' ' ' LEU . 60.8 t-105 -63.4 -55.42 24.54 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.816 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 53.4 ttp180 -50.32 -52.88 32.98 Favored 'General case' 0 C--O 1.203 -1.392 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.964 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -65.23 -42.83 93.03 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.88 -54.68 43.28 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.913 -178.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.488 HD22 ' CG ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -73.45 -31.94 64.08 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.621 -177.108 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 40.6 ttpt -53.34 -46.09 69.35 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -177.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.7 t -59.24 -6.64 0.98 Allowed 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -95.02 9.49 39.26 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.862 0.465 . . . . 0.0 111.018 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.35 -18.69 56.44 Favored Glycine 0 N--CA 1.468 0.827 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.488 ' CG ' HD22 ' A' ' 55' ' ' LEU . 2.0 m80 -64.44 136.02 56.67 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.42 159.68 15.14 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -56.79 -21.81 31.46 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.71 -44.8 20.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.463 -0.789 . . . . 0.0 113.066 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -66.21 -37.83 86.5 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.8 pt -59.02 -23.79 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.554 0.216 . . . . 0.0 111.397 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -59.13 -20.93 58.03 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.897 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.66 -39.92 23.65 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.019 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.82 -26.64 40.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.017 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -61.2 -65.38 0.7 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.394 0.616 . . . . 0.0 110.644 -178.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.41 -17.98 0.91 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.453 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.47 -57.62 10.62 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.212 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 74' ' ' VAL . 78.9 m-85 -111.49 -41.36 4.12 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.77 62.36 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.374 1.046 . . . . 0.0 110.281 -177.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' TYR . 65.6 t -74.2 -12.88 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 77' ' ' ASP . 65.3 m-20 -70.15 -13.57 62.26 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.37 2.62 4.38 Favored Glycine 0 C--N 1.345 1.062 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 75' ' ' ASP . 26.9 t0 -80.05 -3.18 47.46 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.938 0.399 . . . . 0.0 110.274 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 58.52 19.31 6.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.176 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.2 t -147.19 153.62 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -142.05 141.11 32.76 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.662 -1.153 . . . . 0.0 107.935 -179.823 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -85.12 -172.58 4.25 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.485 0.659 . . . . 0.0 110.42 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.55 78.02 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.75 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.35 -54.11 19.55 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.332 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -56.09 -27.99 55.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.892 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -68.87 -47.14 66.64 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.762 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.7 tpt -53.29 -44.14 68.06 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.086 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -69.26 -36.26 76.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.563 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.96 -62.27 1.98 Allowed 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.917 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.9 -46.06 60.5 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.736 0.647 . . . . 0.0 111.532 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -41.55 82.04 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.688 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.21 -31.69 67.58 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.448 0.642 . . . . 0.0 110.947 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.95 -37.33 75.82 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.684 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -63.35 -41.62 98.86 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.992 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.68 -26.74 70.73 Favored Glycine 0 C--N 1.338 0.655 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -68.01 -42.52 80.57 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.059 0.456 . . . . 0.0 110.807 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.46 -40.71 96.23 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.357 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.6 p -59.8 -44.88 93.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.29 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.75 -38.1 89.83 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.072 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.59 -48.5 77.12 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.429 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -56.75 -39.64 74.33 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.637 0.586 . . . . 0.0 110.307 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -67.97 -59.24 3.42 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.727 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -54.45 -41.57 69.6 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.235 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 120.973 0.416 . . . . 0.0 110.024 -179.158 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.6 t60 . . . . . 0 N--CA 1.474 0.747 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.5 mmt -64.65 -61.01 2.46 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.384 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.83 -44.63 78.12 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.488 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.2 t -58.15 -43.12 87.19 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.698 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.34 -41.94 94.64 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.42 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HE ' ' HZ1' ' A' ' 96' ' ' LYS . 79.8 ttt180 -67.15 -40.08 86.62 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.147 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -59.1 -37.82 78.05 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.612 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -59.23 -48.29 82.16 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.0 mt -56.72 -52.19 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.78 76.71 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.928 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -65.84 -30.95 71.65 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.287 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.4 mt -83.62 -33.86 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.071 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -57.24 -58.41 8.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.69 -55.55 29.17 Favored 'General case' 0 CA--C 1.513 -0.447 0 O-C-N 123.766 0.666 . . . . 0.0 110.566 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.722 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.97 -59.7 2.17 Favored 'General case' 0 C--O 1.201 -1.481 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.887 -175.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.4 tp -67.09 -59.49 3.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.572 0.545 . . . . 0.0 111.402 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.06 -57.12 7.11 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 121.711 0.767 . . . . 0.0 110.496 -175.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -77.55 25.22 0.19 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.94 -1.482 . . . . 0.0 110.157 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -115.25 -55.63 2.44 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.363 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER 10.01 52.66 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.534 0 O-C-N 125.471 1.732 . . . . 0.0 109.877 -177.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.599 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.68 -51.81 68.19 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.844 -174.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -77.39 -14.85 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.308 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.9 55.0 9.17 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.829 0.347 . . . . 0.0 110.576 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -110.11 -7.53 14.9 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.785 0.434 . . . . 0.0 110.314 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 62.42 7.57 2.41 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.738 0.649 . . . . 0.0 111.129 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -120.42 134.31 55.29 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.5 tp -87.77 103.87 16.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 123.933 0.77 . . . . 0.0 111.484 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.54 139.35 37.32 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ARG . 27.5 t80 -42.46 -46.05 4.62 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 123.943 0.777 . . . . 0.0 112.591 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -48.0 -55.63 9.61 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.074 0.464 . . . . 0.0 111.395 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -57.37 -50.15 73.9 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.776 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.423 ' HE1' HG13 ' A' ' 65' ' ' ILE . 37.5 t-105 -67.87 -21.35 65.17 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.073 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' PHE . 61.9 ttt-85 -81.28 -62.43 1.66 Allowed 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -71.32 -37.63 71.74 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.631 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -60.89 -54.0 50.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.393 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 55' ' ' LEU . 9.4 mp -75.67 -27.78 58.44 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -177.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -57.33 -48.18 79.64 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.807 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.02 -8.43 3.25 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.158 0.286 . . . . 0.0 111.428 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -86.02 21.91 1.85 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.445 -178.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.04 12.31 79.69 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -99.94 147.74 25.24 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.3 159.41 21.91 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -70.72 -35.3 72.64 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.188 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.42 -43.87 26.24 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.981 0.419 . . . . 0.0 111.255 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.16 -36.6 77.91 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.289 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.423 HG13 ' HE1' ' A' ' 51' ' ' TRP . 1.7 tp -58.27 -23.73 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.663 -178.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -67.52 -39.22 85.09 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.107 -176.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.8 63.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.814 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.54 -33.65 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -78.24 -61.32 2.04 Favored 'General case' 0 C--O 1.225 -0.224 0 O-C-N 123.118 0.261 . . . . 0.0 110.522 -177.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.77 -32.05 0.13 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.181 0.592 . . . . 0.0 111.906 -175.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -57.17 -11.23 1.54 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.805 0.842 . . . . 0.0 112.002 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -110.95 -7.04 14.59 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.039 0.536 . . . . 0.0 111.287 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -93.53 58.66 2.79 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 75' ' ' ASP . 13.0 p -58.36 -45.6 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.244 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.46 ' N ' HG13 ' A' ' 74' ' ' VAL . 12.1 t70 -72.41 -14.45 61.7 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.772 -177.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.51 4.42 57.21 Favored Glycine 0 C--N 1.342 0.883 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -77.33 -16.8 58.75 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.371 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 69.02 25.23 5.96 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 124.484 1.115 . . . . 0.0 111.597 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.7 t -133.68 121.49 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.3 mt -135.71 101.92 4.92 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.616 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 48.3 t0 -97.32 -168.96 1.77 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.474 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -46.88 -16.47 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.579 0.752 . . . . 0.0 112.417 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -66.41 -60.11 3.06 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.654 0.596 . . . . 0.0 110.976 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -86.72 -21.53 26.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.71 0.804 . . . . 0.0 111.519 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -58.55 -39.49 80.39 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.675 -177.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.1 ptp -57.77 -48.64 79.08 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.717 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.74 -43.04 90.11 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.663 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -64.57 -59.49 4.23 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.325 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.44 -40.0 17.03 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.857 0.361 . . . . 0.0 111.652 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -73.14 -31.44 64.28 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.271 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.11 -42.67 98.95 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.432 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.14 -57.8 7.78 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.512 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.08 -44.76 79.26 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.57 -48.65 42.16 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -70.56 -34.99 72.85 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.431 ' HZ1' ' HE ' ' A' ' 25' ' ' ARG . 56.2 tttp -56.08 -40.48 73.68 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.74 0.305 . . . . 0.0 110.797 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.1 m -60.79 -43.73 97.73 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.588 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -62.26 -49.41 75.8 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.356 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.69 -42.66 73.8 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.357 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -57.3 -48.15 79.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.63 0.252 . . . . 0.0 110.543 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -67.39 -56.87 7.91 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -50.34 -39.37 46.06 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.408 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.453 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.258 -179.505 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 37.2 ttm -61.83 -35.18 77.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.494 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.63 -54.27 45.03 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.772 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -62.46 -41.64 98.9 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.333 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -60.29 -46.1 91.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.28 0.562 . . . . 0.0 110.736 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.3 mmt-85 -72.06 -22.75 61.33 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.596 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.9 -15.76 62.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.375 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -56.47 -31.78 64.35 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.851 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.3 -43.39 71.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.661 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.77 -36.54 64.98 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.882 0.373 . . . . 0.0 110.78 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -85.1 -37.09 20.67 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.729 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.7 mt -79.56 -40.42 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.3 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -54.8 -56.34 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.034 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.42 -51.92 65.62 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.05 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.788 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -41.94 -57.29 2.46 Favored 'General case' 0 C--O 1.201 -1.482 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.098 -176.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 34.4 tp -68.55 -59.98 2.75 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.075 0.86 . . . . 0.0 111.524 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.4 -58.39 4.21 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.825 0.821 . . . . 0.0 110.262 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -75.94 26.21 0.12 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.44 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.788 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -115.08 -55.61 2.45 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-O 117.804 -1.093 . . . . 0.0 112.195 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 38' ' ' ALA . 62.5 m-20 7.36 49.84 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.201 0 O-C-N 125.526 1.766 . . . . 0.0 110.57 -177.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.713 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.19 -52.79 64.19 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.774 -174.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -80.64 -14.06 58.49 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.832 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 54.38 55.75 7.72 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.166 0.291 . . . . 0.0 110.51 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -108.47 -17.98 13.85 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 68.85 10.4 7.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.414 0.446 . . . . 0.0 110.825 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 46' ' ' LEU . 55.7 t60 -116.89 162.27 18.02 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 7.3 mp -119.09 97.52 5.72 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.111 0.882 . . . . 0.0 111.381 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -99.39 140.82 33.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -36.72 -46.94 0.63 Allowed 'General case' 0 C--O 1.207 -1.163 0 O-C-N 124.354 1.034 . . . . 0.0 112.144 -179.54 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -47.75 -56.22 7.84 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.578 0.549 . . . . 0.0 111.523 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -58.64 -52.01 67.49 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.747 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -68.07 -21.23 64.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.177 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' PHE . 59.7 ttm-85 -81.74 -62.2 1.71 Allowed 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -69.13 -38.87 79.07 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.312 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.09 -56.14 25.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.665 -177.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.32 -36.92 80.02 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.73 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -54.07 -47.32 71.79 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -175.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -61.03 -12.3 11.23 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.194 0.309 . . . . 0.0 111.353 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -84.79 24.03 1.1 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.032 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.31 12.29 76.32 Favored Glycine 0 N--CA 1.461 0.342 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -102.74 152.07 21.66 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.75 172.49 12.17 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.57 -34.58 53.64 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.331 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.92 -42.71 32.23 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.765 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -54.77 -38.88 67.77 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.664 0.269 . . . . 0.0 111.65 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.62 -24.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.12 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.07 -42.34 99.64 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 123.347 0.405 . . . . 0.0 110.56 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.07 -53.85 52.08 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.779 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.57 -48.15 90.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.677 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -67.93 -54.89 15.25 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.678 -178.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.12 -45.15 2.69 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.237 0.542 . . . . 0.0 111.274 -178.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -52.57 -10.78 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.77 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -101.34 -41.63 6.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.476 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.37 114.1 0.58 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -54.14 9.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 123.531 0.519 . . . . 0.0 110.395 -177.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -115.15 6.7 15.17 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.668 0.387 . . . . 0.0 110.49 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.51 18.75 73.97 Favored Glycine 0 N--CA 1.47 0.912 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -75.49 -11.73 60.09 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.053 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 63.92 24.03 13.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 123.466 0.479 . . . . 0.0 111.964 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -145.24 119.57 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-O 121.001 0.429 . . . . 0.0 109.865 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -141.15 117.0 10.41 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.337 -179.396 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.13 -170.33 1.78 Allowed 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -38.59 -49.29 1.52 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 124.599 1.187 . . . . 0.0 110.776 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -44.08 -57.34 3.44 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.804 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -86.05 -33.37 21.02 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.305 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -63.05 -37.2 86.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.974 -177.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.8 ttt -49.97 -44.81 51.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.315 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.06 -30.5 59.76 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.6 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 19.3 ttt -68.69 -54.63 15.05 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.454 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.18 -33.96 42.98 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -64.22 -49.5 71.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.705 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.94 -41.05 83.11 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.13 -40.95 91.57 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.599 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.27 -43.04 74.7 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.081 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.7 -37.67 93.74 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -64.11 -42.47 96.87 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.122 0.486 . . . . 0.0 110.456 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -59.6 -43.45 93.73 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.059 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.9 t -61.92 -45.61 92.93 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.501 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -61.5 -41.82 97.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.794 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.4 tp -57.76 -51.85 67.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.337 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -47.77 -40.61 21.19 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.74 0.65 . . . . 0.0 110.604 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -80.14 -34.31 37.82 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.145 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.02 -52.91 61.68 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -176.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.473 0.687 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.893 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . -65.16 -102.0 0.01 OUTLIER Glycine 0 C--N 1.334 0.442 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.0 mm? 51.67 -88.64 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 120.646 0.26 . . . . 0.0 111.029 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.562 HG13 ' O ' ' A' ' 15' ' ' VAL . 9.2 p -165.65 115.0 0.81 Allowed Pre-proline 0 N--CA 1.441 -0.887 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.53 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.82 -37.74 1.09 Allowed 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.552 2.168 . . . . 0.0 112.071 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -165.24 144.47 6.62 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.277 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.87 -105.15 0.22 Allowed Glycine 0 CA--C 1.517 0.181 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.4 t 51.08 21.72 1.1 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.962 0.41 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -63.1 -57.1 11.72 Favored 'General case' 0 C--O 1.227 -0.082 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.212 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.8 mtp -65.93 -45.98 79.9 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.82 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.94 -48.7 60.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.2 m -50.99 -45.06 61.0 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.201 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -54.62 -41.03 69.51 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -66.48 -41.61 88.69 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.664 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.87 -41.55 99.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.27 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.75 -58.5 8.32 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.675 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.09 -50.61 79.12 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.686 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.23 -36.17 63.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -85.5 -32.86 21.99 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.303 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.0 mt -82.54 -38.12 14.88 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 -177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -60.97 -56.46 20.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.439 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ALA . 88.4 mt-10 -62.61 -59.92 4.25 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.611 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.838 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -39.74 -55.51 1.91 Allowed 'General case' 0 C--O 1.212 -0.9 0 CA-C-O 119.029 -0.51 . . . . 0.0 110.646 -176.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.525 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 4.3 tp -68.09 -61.09 2.02 Favored 'General case' 0 C--O 1.222 -0.37 0 O-C-N 123.577 0.548 . . . . 0.0 111.564 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.56 -55.89 4.78 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-O 121.25 0.547 . . . . 0.0 109.552 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.413 ' ND1' ' N ' ' A' ' 37' ' ' HIS . 1.6 m-70 -80.93 29.41 0.33 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.779 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.838 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -118.84 -56.07 2.14 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 119.355 -0.355 . . . . 0.0 111.378 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.605 ' C ' ' O ' ' A' ' 38' ' ' ALA . 59.3 m-20 4.47 54.9 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.46 0.648 . . . . 0.0 110.878 -176.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.775 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -57.63 -52.73 64.22 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.932 -176.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.492 ' O ' ' C ' ' A' ' 42' ' ' ALA . 12.3 t-20 -89.03 19.93 3.9 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.147 -178.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.492 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . 28.99 53.08 0.08 Allowed 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.471 0.482 . . . . 0.0 110.145 -178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -99.25 -24.56 14.8 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.711 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 68.03 7.64 5.96 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 123.456 0.473 . . . . 0.0 111.184 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.466 ' C ' HD12 ' A' ' 46' ' ' LEU . 7.0 m-70 -116.85 166.14 12.5 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.466 HD12 ' C ' ' A' ' 45' ' ' HIS . 8.7 mp -117.28 99.76 7.24 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.07 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -99.39 135.15 41.22 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -38.53 -49.16 1.48 Allowed 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -49.31 -54.95 14.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.967 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -59.2 -49.84 76.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.138 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -61.47 -60.43 3.72 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.124 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -51.51 -52.97 42.36 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.749 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -63.14 -46.6 86.49 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.772 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.63 -54.66 44.32 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.374 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -33.72 76.29 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.4 -49.64 69.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.277 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 70.0 m -61.18 -14.32 24.36 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 mmt180 -82.17 22.03 0.85 Allowed 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.489 -177.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.71 12.0 72.97 Favored Glycine 0 N--CA 1.46 0.284 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -99.74 150.11 22.65 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.166 0.508 . . . . 0.0 109.735 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.07 176.63 9.08 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.313 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -78.29 -40.6 36.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.389 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.8 -42.32 41.05 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.755 -177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -52.07 -38.71 58.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.383 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 75.9 mt -69.44 -22.75 25.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.136 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -62.31 -47.9 82.22 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.267 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.25 94.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.646 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -64.92 -37.33 79.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.485 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -78.61 -58.36 3.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.11 -0.496 . . . . 0.0 109.702 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 72' ' ' TYR . . . -38.73 -38.34 0.4 Allowed 'General case' 0 CA--C 1.515 -0.373 0 CA-C-O 120.877 0.37 . . . . 0.0 111.812 -175.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -7.25 0.14 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.456 ' H ' ' C ' ' A' ' 70' ' ' ALA . 35.7 m-85 -107.12 -6.13 17.57 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.061 0.85 . . . . 0.0 111.431 -176.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -76.66 115.3 16.29 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.0 t -87.45 -51.03 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.723 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -116.76 2.79 12.94 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.54 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.12 15.16 76.54 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -68.78 -14.03 62.77 Favored 'General case' 0 CA--C 1.512 -0.491 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.542 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 62.95 35.0 13.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.345 176.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 79' ' ' VAL . 12.0 p -147.63 120.78 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.034 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mp -134.73 106.15 6.8 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.832 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -93.34 -166.87 1.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.31 0.576 . . . . 0.0 110.014 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.52 -14.47 0.5 Allowed 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.117 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -64.4 -59.22 4.61 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.372 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -84.27 -18.67 35.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.418 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -56.87 -37.95 72.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 67.9 mtt -56.18 -47.18 78.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.453 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -56.12 -41.81 75.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 36.0 ttm -59.43 -62.5 1.83 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.53 71.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -62.04 -49.11 77.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.969 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -66.4 -39.14 88.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.902 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.31 -25.21 63.21 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.442 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -73.65 -45.61 51.63 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 123.58 0.55 . . . . 0.0 110.766 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.15 -52.76 41.59 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -54.87 -38.66 67.79 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 120.798 0.332 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.66 -44.75 92.86 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.128 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.3 t -58.94 -46.25 88.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.23 0.538 . . . . 0.0 110.896 -178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -63.49 -32.21 73.59 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.064 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mp -78.46 -46.18 20.36 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.102 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.494 ' O ' ' O ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -59.27 -26.2 64.74 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.683 -177.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -46.84 -64.25 0.82 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.271 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -80.89 -41.39 23.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.877 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 16.0 mt -60.52 -62.08 2.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.953 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 100' ' ' ASN . . . -162.27 140.54 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.417 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -58.28 173.39 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.733 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.402 ' O ' HD13 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -170.18 -55.26 0.02 OUTLIER 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.632 179.388 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--O 1.216 -0.686 0 CA-C-O 117.785 -1.102 . . . . 0.0 109.98 -179.38 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.422 -1.471 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.79 78.2 1.91 Allowed Glycine 0 N--CA 1.474 1.227 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.0 mt -70.45 122.71 20.16 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.6 m -70.17 147.0 95.33 Favored Pre-proline 0 N--CA 1.436 -1.166 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.512 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.33 137.05 56.21 Favored 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 121.969 1.779 . . . . 0.0 111.842 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -84.21 170.48 13.71 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -179.62 10.07 0.03 OUTLIER Glycine 0 N--CA 1.464 0.541 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -64.56 -13.25 51.95 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.797 0.332 . . . . 0.0 110.639 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -62.45 -39.38 93.19 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.08 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.9 tpt -61.89 -40.97 97.24 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.409 -178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.63 88.61 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.127 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.6 t -62.63 -44.29 96.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.019 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -62.33 -45.6 92.48 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.619 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.56 HH21 ' NZ ' ' A' ' 96' ' ' LYS . 74.1 mtp180 -62.04 -31.49 71.9 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.848 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.98 -16.11 11.34 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.076 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HA ' ' HE ' ' A' ' 58' ' ' ARG . 63.2 pttt -52.46 -32.58 40.36 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-O 121.359 0.6 . . . . 0.0 111.621 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.55 -46.14 97.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.342 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.149 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.47 -41.05 60.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.963 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -85.36 -42.4 14.59 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.516 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.1 mt -68.91 -45.49 80.48 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 O-C-N 123.27 0.356 . . . . 0.0 111.296 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -53.42 -58.69 6.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 110.386 -176.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -60.92 -51.26 70.04 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 115.012 -0.994 . . . . 0.0 110.845 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.801 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.18 -60.38 1.69 Allowed 'General case' 0 C--O 1.195 -1.816 0 CA-C-O 117.592 -1.194 . . . . 0.0 109.692 -174.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 5.6 mt -68.17 -58.05 5.07 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.939 0.774 . . . . 0.0 111.813 178.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.91 -60.84 2.3 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.365 0.602 . . . . 0.0 109.724 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -77.54 23.59 0.22 Allowed 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.222 178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -106.72 -57.17 2.09 Favored 'General case' 0 CA--C 1.492 -1.287 0 CA-C-O 117.54 -1.219 . . . . 0.0 111.03 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 38' ' ' ALA . 67.2 m-20 6.7 42.25 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.479 0 O-C-N 125.613 1.821 . . . . 0.0 111.752 -178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.797 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.08 -52.45 65.29 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.783 -174.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -81.39 -16.22 52.86 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.413 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 45.25 57.7 4.63 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.256 0.347 . . . . 0.0 110.837 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 42.0 p-10 -110.04 -8.51 14.81 Favored 'General case' 0 N--CA 1.483 1.182 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.524 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 66.7 6.41 4.5 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 124.153 0.908 . . . . 0.0 111.258 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -128.34 138.8 52.54 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.5 mt -119.58 104.51 10.36 Favored 'General case' 0 CA--C 1.51 -0.58 0 O-C-N 123.802 0.689 . . . . 0.0 109.446 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -83.65 159.24 21.6 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 107.14 -1.43 . . . . 0.0 107.14 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.423 ' CE1' ' CE2' ' A' ' 69' ' ' PHE . 2.1 t80 -43.89 -44.38 6.98 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.65 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -52.75 -56.75 13.4 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.559 -178.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -55.48 -47.26 76.42 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.388 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -61.54 -58.83 6.56 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 38.6 ttm180 -49.23 -55.26 13.16 Favored 'General case' 0 C--O 1.205 -1.285 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.726 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.77 -42.79 90.39 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 123.988 0.805 . . . . 0.0 112.531 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -59.52 -54.4 47.05 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.776 -178.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 mp -70.47 -36.92 74.15 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.141 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 62.0 tttm -49.75 -47.73 50.62 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -176.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 86.4 m -53.5 -8.31 0.14 Allowed 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.291 0.369 . . . . 0.0 111.671 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HE ' ' HA ' ' A' ' 27' ' ' LYS . 0.9 OUTLIER -96.89 14.76 24.25 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 123.856 0.723 . . . . 0.0 111.776 -179.661 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.36 -20.24 42.08 Favored Glycine 0 N--CA 1.475 1.292 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -59.4 133.65 56.29 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.76 162.91 14.67 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.646 ' O ' HG22 ' A' ' 65' ' ' ILE . 8.1 p-10 -68.29 -26.18 65.52 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.172 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.37 -46.0 43.39 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.979 0.419 . . . . 0.0 110.789 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -72.01 -23.17 61.36 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.335 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.646 HG22 ' O ' ' A' ' 62' ' ' ASP . 3.4 tp -54.2 -27.61 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.004 0.431 . . . . 0.0 111.381 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -61.26 -23.97 66.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.347 -176.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.71 -47.65 21.26 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.463 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.0 t -63.61 -33.87 64.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.457 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.423 ' CE2' ' CE1' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -64.32 -65.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.77 -177.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.89 -18.29 4.73 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.184 -179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -53.59 -56.72 14.71 Favored 'General case' 0 C--N 1.345 0.394 0 O-C-N 123.959 0.787 . . . . 0.0 109.7 -178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.713 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -103.36 -42.88 5.58 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.23 67.05 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.887 0.742 . . . . 0.0 109.88 -177.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 72' ' ' TYR . 18.8 t -75.23 -12.06 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 -178.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 77' ' ' ASP . 50.5 m-20 -74.21 -15.04 61.02 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.89 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.31 -3.01 1.31 Allowed Glycine 0 N--CA 1.474 1.181 0 N-CA-C 111.691 -0.564 . . . . 0.0 111.691 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 75' ' ' ASP . 36.7 p30 -74.4 -2.26 24.61 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.776 0.288 . . . . 0.0 110.281 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 56.71 15.44 2.18 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.598 1.186 . . . . 0.0 110.605 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.685 ' O ' HD22 ' A' ' 80' ' ' LEU . 91.8 t -139.18 139.26 40.07 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.041 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 79' ' ' VAL . 0.4 OUTLIER -141.04 142.77 34.16 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 124.469 1.106 . . . . 0.0 110.712 179.113 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -71.74 164.08 26.61 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 121.411 0.624 . . . . 0.0 110.198 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.85 -17.24 5.86 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.02 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -65.8 -27.13 68.04 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 121.253 0.549 . . . . 0.0 110.572 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -68.46 -25.17 64.86 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.554 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -62.3 -44.79 95.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.973 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 65.2 mtt -60.8 -51.24 70.19 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.628 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -60.76 -44.07 97.2 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.328 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.4 mtt -53.66 -63.28 1.2 Allowed 'General case' 0 N--CA 1.476 0.845 0 O-C-N 123.304 0.378 . . . . 0.0 110.818 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.84 -55.04 12.8 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.993 0.425 . . . . 0.0 111.501 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -62.96 -42.66 99.89 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.74 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.28 -44.93 94.92 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.77 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.35 -41.87 90.21 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.94 0.4 . . . . 0.0 110.031 -178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.96 -48.13 59.53 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.89 -33.84 29.02 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -78.93 -33.49 45.38 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.56 ' NZ ' HH21 ' A' ' 25' ' ' ARG . 56.5 tttp -58.73 -30.78 67.73 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-O 120.842 0.353 . . . . 0.0 110.336 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 42.1 t -60.61 -42.46 96.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.587 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -60.8 -39.32 88.47 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.688 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.44 -38.09 56.0 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.859 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -52.35 -41.07 62.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.962 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -74.07 -47.15 38.51 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.259 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -47.75 -44.78 28.43 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.647 0.592 . . . . 0.0 110.642 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 20.9 mt -98.02 -9.16 26.49 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.09 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 106' ' ' LEU . . . 51.62 -172.49 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 118.389 -0.815 . . . . 0.0 109.482 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 104' ' ' ALA . 97.9 mt-10 22.25 -82.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 124.771 1.294 . . . . 0.0 111.313 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 104' ' ' ALA . 2.4 tt 84.85 85.84 0.02 OUTLIER 'General case' 0 C--N 1.352 0.678 0 O-C-N 124.788 1.305 . . . . 0.0 109.445 177.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 0 CA--C 1.543 0.69 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.162 179.591 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.441 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 61.58 86.83 0.04 OUTLIER Glycine 0 N--CA 1.47 0.934 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.67 144.78 55.33 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.8 p -164.62 62.8 0.99 Allowed Pre-proline 0 CA--C 1.544 0.744 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -73.25 128.21 12.7 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 121.18 1.253 . . . . 0.0 109.843 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -164.91 100.23 0.77 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.38 -34.64 90.46 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.438 -1.065 . . . . 0.0 110.438 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.6 p -66.18 -173.0 0.17 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.8 t60 70.86 -43.59 0.56 Allowed 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.808 0.693 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.2 mtt -61.11 -48.26 82.49 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.51 -53.65 53.75 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.365 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.2 p -53.28 -41.94 66.05 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.585 0.231 . . . . 0.0 111.443 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -49.75 -32.44 13.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 120.954 0.407 . . . . 0.0 110.911 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -71.06 -38.75 72.49 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.529 0.681 . . . . 0.0 109.441 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.47 -31.72 72.96 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.804 -177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.8 -59.54 5.0 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.274 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.0 pt -60.35 -40.14 83.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.66 -58.18 7.64 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 120.864 0.364 . . . . 0.0 111.395 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -68.35 -39.06 82.0 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.131 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.5 mt -69.22 -43.49 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 123.101 0.251 . . . . 0.0 110.869 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -61.94 -58.52 7.6 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.61 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -60.71 -57.15 13.9 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 123.71 0.631 . . . . 0.0 110.331 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.733 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.58 -58.38 2.67 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.13 -175.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.41 -58.65 4.38 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 123.965 0.791 . . . . 0.0 112.232 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.3 -57.95 5.92 Favored 'General case' 0 N--CA 1.488 1.45 0 CA-C-O 121.418 0.627 . . . . 0.0 110.068 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -78.56 24.54 0.28 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.862 178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -109.16 -55.55 2.4 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.594 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 1.78 51.2 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.784 0 O-C-N 125.778 1.924 . . . . 0.0 111.092 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.715 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -66.08 -51.29 59.44 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.332 -174.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -77.87 -16.48 58.24 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.47 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 51.74 55.38 9.41 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 120.537 0.208 . . . . 0.0 110.905 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -99.6 -11.99 20.49 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.438 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 63.24 5.88 2.16 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.697 0.799 . . . . 0.0 111.192 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -116.12 173.07 6.77 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.444 HD11 HE21 ' A' ' 85' ' ' GLN . 19.7 mt -128.41 110.12 12.04 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.881 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -110.08 146.76 34.85 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' ARG . 8.8 t80 -41.31 -44.41 2.72 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 123.784 0.677 . . . . 0.0 111.43 -177.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -48.58 -54.48 14.38 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.633 0.583 . . . . 0.0 111.135 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -59.75 -50.94 71.85 Favored 'General case' 0 C--O 1.21 -0.974 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.565 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -66.77 -23.72 66.11 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' PHE . 70.4 ttp85 -81.72 -61.97 1.77 Allowed 'General case' 0 C--O 1.209 -1.056 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -70.43 -36.31 73.91 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -175.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -64.53 -55.37 21.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 123.562 0.539 . . . . 0.0 112.395 -176.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.17 -28.3 57.28 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.998 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 62.9 tttp -56.33 -46.05 80.07 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -177.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.4 m -63.61 -4.13 2.73 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -95.5 10.6 35.97 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 122.899 0.479 . . . . 0.0 110.826 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.39 -2.4 74.25 Favored Glycine 0 N--CA 1.473 1.126 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.429 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 1.8 m80 -81.41 140.69 34.53 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.02 160.38 14.74 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -66.85 -30.42 70.59 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.136 0.493 . . . . 0.0 110.285 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.77 -45.05 83.94 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.268 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -56.13 -22.42 28.32 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.3 mt -53.04 -31.12 17.0 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -61.24 -43.2 99.26 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.59 -53.66 26.35 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.0 m -61.86 -25.1 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -63.9 1.11 Allowed 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.651 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.44 -19.45 0.32 Allowed 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.724 0.773 . . . . 0.0 111.235 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -80.91 -37.31 29.83 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.512 -1.222 . . . . 0.0 111.684 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -115.21 -23.72 8.83 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 112.162 0.431 . . . . 0.0 112.162 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.18 129.03 42.45 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 123.264 0.625 . . . . 0.0 110.912 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.623 HG23 ' H ' ' A' ' 75' ' ' ASP . 27.2 m -73.85 -60.44 2.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.367 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.623 ' H ' HG23 ' A' ' 74' ' ' VAL . 46.8 p-10 -116.8 18.3 14.87 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.187 0.995 . . . . 0.0 111.225 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 54.38 36.55 58.09 Favored Glycine 0 N--CA 1.478 1.489 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -70.99 5.03 2.22 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 51.93 22.84 1.9 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 79' ' ' VAL . 11.6 p -146.38 119.53 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.7 mp -140.1 97.45 3.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.641 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -89.24 -168.29 2.13 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.59 -17.11 0.08 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 122.705 0.402 . . . . 0.0 111.868 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -62.94 1.19 Allowed 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.095 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -87.49 -24.59 24.05 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-O 120.987 0.422 . . . . 0.0 110.971 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.444 HE21 HD11 ' A' ' 46' ' ' LEU . 37.8 tt0 -64.78 -40.52 95.39 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.062 -178.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.1 ttt -46.99 -41.23 15.96 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.04 -36.06 80.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.528 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.5 ttt -60.2 -62.46 1.85 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.52 -42.84 55.54 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -63.32 -44.16 95.76 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.584 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -65.19 -41.96 94.08 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.8 0.333 . . . . 0.0 111.12 -178.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.44 -38.6 91.61 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.052 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -64.69 -42.94 94.97 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.618 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.51 -38.22 94.54 Favored Glycine 0 N--CA 1.467 0.73 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -42.72 96.55 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.48 -49.58 76.23 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.173 0.295 . . . . 0.0 110.412 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.3 m -62.36 -44.18 97.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.865 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.79 -38.18 89.62 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.478 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.1 tp -63.72 -43.92 95.12 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.962 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -51.19 -37.56 47.26 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.816 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -74.19 -47.23 36.98 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.822 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -51.68 -45.94 63.64 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.73 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.528 ' O ' ' O ' ' A' ' 104' ' ' ALA . 12.4 tp -172.29 64.06 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.274 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' A' ' 103' ' ' LEU . . . 23.9 -151.62 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 118.745 0.702 . . . . 0.0 111.305 177.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.41 ' H ' ' H ' ' A' ' 106' ' ' LEU . 13.3 pt-20 -168.77 -3.57 0.02 OUTLIER 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.41 ' H ' ' H ' ' A' ' 105' ' ' GLU . 1.2 tt -168.24 62.48 0.07 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 121.461 0.648 . . . . 0.0 111.04 -179.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 N--CA 1.472 0.643 0 CA-C-O 117.663 -1.161 . . . . 0.0 109.84 178.839 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.7 45.64 1.61 Allowed Glycine 0 N--CA 1.471 0.998 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.7 mt -64.08 -44.16 93.22 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.026 0.441 . . . . 0.0 110.327 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -71.19 128.13 90.7 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.68 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -54.83 150.72 35.83 Favored 'Trans proline' 0 N--CA 1.502 1.99 0 C-N-CA 121.98 1.787 . . . . 0.0 111.317 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -62.96 -37.41 86.99 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.626 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -177.71 -58.38 0.07 OUTLIER Glycine 0 N--CA 1.463 0.472 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.9 t -67.42 173.65 3.9 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -165.71 -83.09 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.117 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.0 mtt -65.42 -39.17 91.8 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.431 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.77 85.1 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.638 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.1 m -67.11 -44.05 80.93 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -72.5 -19.44 61.54 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.839 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -46.68 -35.54 6.15 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 123.725 0.641 . . . . 0.0 110.962 -178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.32 -47.48 14.45 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.54 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -62.92 -23.27 67.29 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.204 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.8 mm -58.89 -55.8 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.48 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.13 -177.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.43 -20.25 40.75 Favored 'General case' 0 CA--C 1.505 -0.775 0 O-C-N 123.672 0.607 . . . . 0.0 109.866 -177.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.73 -38.71 49.09 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.8 tt -67.79 -23.97 30.13 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.647 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.548 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -82.08 -56.45 3.93 Favored 'General case' 0 C--O 1.239 0.514 0 O-C-N 123.579 0.55 . . . . 0.0 111.971 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.19 -40.25 93.23 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.536 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.777 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.98 -58.17 2.94 Favored 'General case' 0 C--O 1.193 -1.869 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.423 -175.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.47 -58.66 4.78 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.209 0.943 . . . . 0.0 111.607 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.81 -56.49 8.54 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.572 0.701 . . . . 0.0 109.623 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -80.96 25.04 0.47 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-N 114.503 -1.226 . . . . 0.0 109.975 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -111.32 -56.55 2.36 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 118.058 -0.973 . . . . 0.0 111.2 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 38' ' ' ALA . 11.2 p30 7.4 49.85 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 O-C-N 125.494 1.746 . . . . 0.0 110.945 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.77 -50.81 70.85 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.239 -175.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -76.44 -16.84 59.59 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.761 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 41.2 55.18 3.32 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 123.417 0.448 . . . . 0.0 110.947 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -101.2 -9.61 21.13 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.273 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 74.41 4.05 4.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.336 1.054 . . . . 0.0 110.511 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.9 135.87 50.59 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 -178.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.04 126.75 35.56 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 124.43 1.081 . . . . 0.0 109.255 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -112.11 139.72 47.39 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -45.91 -44.65 14.77 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.341 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -51.49 -56.03 15.65 Favored 'General case' 0 C--N 1.341 0.214 0 O-C-N 123.454 0.471 . . . . 0.0 111.031 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -55.41 -46.62 76.63 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.495 -179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.428 ' HE1' HG23 ' A' ' 65' ' ' ILE . 60.0 t-105 -60.46 -60.02 4.48 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 121.249 0.547 . . . . 0.0 110.904 -179.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -50.68 -53.59 29.93 Favored 'General case' 0 C--O 1.214 -0.814 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.947 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.05 -44.18 85.32 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 123.744 0.652 . . . . 0.0 112.158 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -59.6 -51.62 69.03 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.406 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.1 mp -68.18 -33.92 75.34 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.887 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -53.25 -48.18 68.45 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 120.133 -0.627 . . . . 0.0 111.676 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.73 -15.82 33.26 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.014 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 17.85 0.6 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.51 14.13 80.53 Favored Glycine 0 N--CA 1.462 0.406 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.428 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -104.35 150.48 24.44 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.756 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.41 160.13 14.67 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -59.45 -43.26 93.19 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.55 -49.03 79.17 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.049 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -59.92 -39.67 86.26 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.701 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.428 HG23 ' HE1' ' A' ' 51' ' ' TRP . 94.9 mt -60.08 -23.45 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.638 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -57.73 -35.43 70.67 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.802 0.334 . . . . 0.0 110.835 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.04 -40.88 62.54 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.141 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.52 -22.69 30.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.132 -179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -61.64 -64.25 1.0 Allowed 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.1 0.476 . . . . 0.0 111.529 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.48 -16.82 2.56 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.144 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -52.51 -57.31 10.33 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.595 0.559 . . . . 0.0 110.441 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 74' ' ' VAL . 72.0 m-85 -99.02 -41.09 7.72 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.407 ' OD2' HD22 ' A' ' 80' ' ' LEU . 1.0 OUTLIER -63.0 62.49 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.782 0 O-C-N 124.211 0.944 . . . . 0.0 110.238 -177.628 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 72' ' ' TYR . 54.4 t -60.09 -48.55 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -66.99 -12.9 61.17 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.529 ' C ' ' H ' ' A' ' 78' ' ' ARG . . . 47.26 18.65 0.54 Allowed Glycine 0 C--N 1.35 1.354 0 N-CA-C 112.728 -0.149 . . . . 0.0 112.728 177.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -69.75 14.8 0.09 Allowed 'General case' 0 C--O 1.224 -0.271 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.529 ' H ' ' C ' ' A' ' 76' ' ' GLY . 86.9 mtm180 54.41 10.06 0.3 Allowed 'General case' 0 C--N 1.347 0.486 0 C-N-CA 122.92 0.488 . . . . 0.0 111.771 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.6 t -147.28 132.72 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.662 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.712 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -141.38 141.45 33.79 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 106.039 -1.838 . . . . 0.0 106.039 178.302 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -82.84 172.68 12.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.36 0.6 . . . . 0.0 110.493 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.29 -15.15 1.43 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.275 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -67.62 -39.05 84.72 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.295 0.569 . . . . 0.0 111.051 -179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -67.46 -26.02 66.18 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.524 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.34 -42.95 92.36 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 15.3 tpt -59.49 -47.34 85.9 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -63.76 -39.24 93.78 Favored 'General case' 0 C--N 1.338 0.074 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.857 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 24.9 ttt -54.67 -60.02 3.93 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.96 -45.37 15.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.32 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -59.76 -30.14 68.65 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.973 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -76.58 -50.76 13.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.445 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.09 -41.97 99.5 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -50.35 -30.47 12.26 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.127 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.12 -32.15 83.2 Favored Glycine 0 C--N 1.338 0.649 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.46 -41.65 98.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.033 0.444 . . . . 0.0 110.358 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -58.14 -42.77 86.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.285 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.2 t -61.59 -38.8 88.89 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.193 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.41 -44.18 97.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.355 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.62 -40.83 97.9 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.645 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -55.03 -48.16 73.77 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.46 -40.11 77.32 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.075 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -50.58 -49.81 55.32 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.789 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.8 tp -145.41 147.44 32.24 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.086 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -39.66 149.46 0.06 Allowed 'General case' 0 N--CA 1.474 0.757 0 O-C-N 124.221 0.951 . . . . 0.0 110.888 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -171.41 24.65 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.515 0.509 . . . . 0.0 110.063 -178.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.3 mt -83.97 4.54 29.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.15 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.721 179.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.3 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.14 -39.38 97.09 Favored Glycine 0 N--CA 1.467 0.733 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.9 -35.43 81.1 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 120.643 0.259 . . . . 0.0 110.499 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 p -160.79 103.62 1.3 Allowed Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.499 -179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -71.96 -15.28 29.43 Favored 'Trans proline' 0 N--CA 1.508 2.359 0 C-N-CA 121.735 1.623 . . . . 0.0 111.651 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -68.17 -21.39 64.9 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.641 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.32 -166.4 48.3 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 110.085 -1.206 . . . . 0.0 110.085 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.7 t -167.68 79.16 0.18 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.942 0.401 . . . . 0.0 110.445 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.9 p80 -167.46 13.02 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.61 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -37.51 87.65 Favored 'General case' 0 CA--C 1.516 -0.329 0 O-C-N 123.216 0.322 . . . . 0.0 110.754 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.16 -56.84 17.03 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.692 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 98.3 p -62.78 -43.76 97.97 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.662 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.67 -42.82 97.85 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.448 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.4 mmp_? -73.56 -44.56 57.12 Favored 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.545 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -63.79 -15.58 59.07 Favored 'General case' 0 CA--C 1.51 -0.588 0 O-C-N 123.398 0.436 . . . . 0.0 110.199 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -52.72 -17.34 1.28 Allowed 'General case' 0 C--O 1.241 0.632 0 CA-C-O 121.401 0.62 . . . . 0.0 111.672 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.8 pt -63.28 -25.68 39.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.431 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.188 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.74 -56.46 13.66 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.46 0.648 . . . . 0.0 111.252 -177.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -67.9 -38.91 83.59 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.515 -179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.0 mt -70.0 -44.41 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-O 121.047 0.451 . . . . 0.0 111.653 -178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -56.53 -58.67 7.05 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.41 -176.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -60.59 -54.92 39.6 Favored 'General case' 0 CA--C 1.505 -0.782 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.226 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.89 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -41.82 -60.98 1.21 Allowed 'General case' 0 C--O 1.188 -2.142 0 O-C-N 123.975 0.797 . . . . 0.0 109.513 -175.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' N ' ' OE2' ' A' ' 54' ' ' GLU . 34.6 tp -65.65 -57.59 7.74 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.753 0.787 . . . . 0.0 112.166 178.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.24 -60.81 2.49 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.668 0.747 . . . . 0.0 111.116 -175.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -80.45 25.26 0.42 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.466 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.89 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -115.36 -55.92 2.41 Favored 'General case' 0 CA--C 1.49 -1.36 0 CA-C-O 117.026 -1.464 . . . . 0.0 111.493 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 38' ' ' ALA . 57.1 m-20 5.83 51.83 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 125.56 1.788 . . . . 0.0 111.126 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.682 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.98 -52.69 62.02 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.054 -175.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -76.41 -17.04 59.56 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 124.024 0.828 . . . . 0.0 110.438 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 49.05 56.75 7.31 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.282 0.364 . . . . 0.0 111.806 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 p30 -103.7 -9.71 18.92 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 119.004 -0.522 . . . . 0.0 110.2 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 64.07 6.47 2.9 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 124.267 0.98 . . . . 0.0 111.384 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.405 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 80.1 m80 -127.63 137.42 52.53 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 tp -96.12 122.48 39.0 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.422 1.076 . . . . 0.0 111.407 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -111.34 143.56 41.95 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -46.05 -47.58 16.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.62 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -47.05 -57.56 4.92 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.38 0.609 . . . . 0.0 111.207 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -56.23 -44.31 79.47 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.167 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -59.13 -59.93 4.68 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.053 0.454 . . . . 0.0 110.666 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.548 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 59.2 ttp180 -51.49 -56.66 12.15 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.603 -178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.11 -43.47 95.21 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.743 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.417 ' OE2' ' N ' ' A' ' 35' ' ' LEU . 39.4 tt0 -60.88 -54.1 49.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.277 0.561 . . . . 0.0 110.845 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.65 -28.85 61.03 Favored 'General case' 0 CA--C 1.485 -1.528 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.516 -176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.4 tttm -54.44 -48.26 71.91 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -176.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.7 p -62.04 -6.03 2.63 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.441 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -94.23 15.84 16.35 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 122.623 0.369 . . . . 0.0 110.811 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.19 -1.92 80.59 Favored Glycine 0 N--CA 1.468 0.777 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.559 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -82.72 144.22 30.37 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.15 157.04 17.06 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -62.8 -31.78 72.83 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.838 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.09 -49.24 46.62 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.564 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -57.02 -32.06 65.77 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.481 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.528 ' O ' HG12 ' A' ' 68' ' ' VAL . 57.4 mt -56.56 -25.74 21.7 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 121.087 0.47 . . . . 0.0 110.355 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -55.14 -36.74 66.11 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.981 -0.688 . . . . 0.0 110.536 -177.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.45 -45.34 39.22 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.739 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 65' ' ' ILE . 2.2 p -61.32 -23.61 30.89 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.536 -177.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.87 -60.29 3.46 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.347 0.594 . . . . 0.0 109.791 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.52 -18.46 0.24 Allowed 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.806 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -56.15 -57.77 10.79 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.079 -176.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.891 ' O ' ' N ' ' A' ' 74' ' ' VAL . 67.3 m-85 -99.44 -45.31 5.87 Favored 'General case' 0 CA--C 1.477 -1.864 0 CA-C-O 116.265 -1.826 . . . . 0.0 109.628 179.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' TYR . 17.1 p-10 7.07 36.75 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 125.763 1.915 . . . . 0.0 112.353 -178.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.891 ' N ' ' O ' ' A' ' 72' ' ' TYR . 2.8 p -41.98 -60.56 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -175.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.722 ' H ' HG13 ' A' ' 74' ' ' VAL . 48.3 t0 -103.49 -9.69 19.13 Favored 'General case' 0 N--CA 1.441 -0.894 0 O-C-N 124.592 1.183 . . . . 0.0 109.583 178.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.6 29.3 0.14 Allowed Glycine 0 C--N 1.356 1.644 0 N-CA-C 111.688 -0.565 . . . . 0.0 111.688 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' A' ' 79' ' ' VAL . 30.8 t70 -86.16 21.68 1.96 Allowed 'General case' 0 CA--C 1.508 -0.657 0 CA-C-O 121.057 0.456 . . . . 0.0 109.86 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.433 ' HA ' ' HE ' ' A' ' 78' ' ' ARG . 0.6 OUTLIER 60.53 0.21 0.31 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.657 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.749 ' C ' HD22 ' A' ' 80' ' ' LEU . 43.2 t -143.95 131.29 17.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.941 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -178.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 79' ' ' VAL . 3.3 mm? -137.43 94.47 2.93 Favored 'General case' 0 CA--C 1.49 -1.349 0 O-C-N 125.194 1.559 . . . . 0.0 109.353 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 22.6 t70 -62.32 -170.5 0.02 OUTLIER 'General case' 0 C--O 1.256 1.444 0 CA-C-N 114.316 -1.311 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.521 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -62.28 -13.36 27.55 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 124.67 1.188 . . . . 0.0 111.435 179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 83' ' ' GLU . 0.6 OUTLIER -70.4 -52.77 19.99 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -82.89 -22.18 34.04 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -63.26 -46.54 86.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.23 0.538 . . . . 0.0 110.872 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.1 tpp -50.01 -41.21 46.76 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.71 0.767 . . . . 0.0 110.024 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -66.91 -37.8 85.04 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.33 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 64.3 mtt -59.95 -60.9 3.09 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.992 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.2 -38.4 18.17 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.283 0.364 . . . . 0.0 111.096 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -73.42 -32.04 64.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.156 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -66.54 -41.15 89.14 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.028 0.442 . . . . 0.0 111.458 -178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 84.5 mt -52.2 -55.09 23.39 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.262 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -67.36 -43.69 80.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.813 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -55.68 -43.05 86.37 Favored Glycine 0 N--CA 1.464 0.526 0 N-CA-C 110.47 -1.052 . . . . 0.0 110.47 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -68.92 -35.04 76.36 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 115.57 -0.315 . . . . 0.0 110.69 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.4 -30.68 70.7 Favored 'General case' 0 CA--C 1.523 -0.078 0 CA-C-O 121.071 0.462 . . . . 0.0 110.559 -178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 36.4 t -57.41 -36.57 71.48 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.765 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -64.36 -36.96 85.84 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.258 0.552 . . . . 0.0 110.499 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.51 -39.25 85.14 Favored 'General case' 0 CA--C 1.493 -1.241 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.533 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -50.12 -42.44 50.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.642 0.735 . . . . 0.0 110.076 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -68.06 -48.35 65.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.949 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -49.97 -46.52 52.52 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.262 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 179.62 73.78 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.679 0.612 . . . . 0.0 109.753 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.27 -52.94 59.8 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 122.026 -0.421 . . . . 0.0 110.923 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 51.92 59.98 4.16 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.09 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.2 41.6 1.21 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.047 -179.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 CA--C 1.539 0.558 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.299 179.66 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.48 45.95 0.07 OUTLIER Glycine 0 N--CA 1.47 0.933 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.9 mp -71.17 -44.29 65.77 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 120.566 0.222 . . . . 0.0 110.827 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.3 m -141.13 65.65 22.93 Favored Pre-proline 0 N--CA 1.482 1.165 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -70.25 -32.65 16.16 Favored 'Trans proline' 0 N--CA 1.503 2.04 0 C-N-CA 122.113 1.875 . . . . 0.0 111.168 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -98.9 141.42 31.7 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.932 0.493 . . . . 0.0 110.148 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.98 51.29 0.05 OUTLIER Glycine 0 C--N 1.338 0.647 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.6 t -168.43 21.31 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.569 0.223 . . . . 0.0 110.827 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -62.35 -15.86 50.89 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.441 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -61.5 -39.78 92.2 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 -179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.75 -38.65 56.27 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.76 0.314 . . . . 0.0 110.395 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.6 m -63.82 -38.66 91.94 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.396 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -61.25 -42.57 98.85 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.492 0.663 . . . . 0.0 110.22 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -64.94 -42.39 94.71 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.43 0.633 . . . . 0.0 109.383 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -69.31 -25.19 64.1 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.603 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -62.42 -55.37 28.45 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.553 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.2 pt -61.05 -40.69 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.432 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.73 -49.04 74.12 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -68.26 -36.54 79.6 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.792 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.6 mt -71.97 -37.57 61.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.176 178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -62.36 -58.53 7.32 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.76 -177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -60.57 -58.06 10.09 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.331 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.677 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.81 -58.18 2.86 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.341 -175.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.2 tp -65.74 -58.57 5.36 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 123.875 0.734 . . . . 0.0 111.796 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.57 -58.33 4.85 Favored 'General case' 0 N--CA 1.486 1.341 0 CA-C-O 121.623 0.725 . . . . 0.0 110.254 -176.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 59.6 t60 -79.42 23.84 0.38 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.689 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.748 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -105.82 -55.88 2.26 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-O 118.047 -0.977 . . . . 0.0 110.937 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 p30 2.89 47.46 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.619 0 O-C-N 125.827 1.954 . . . . 0.0 111.793 -178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.748 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -64.86 -51.6 61.15 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.85 -175.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.4 p-10 -77.28 -16.93 58.75 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.284 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.21 56.71 6.53 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 120.459 0.171 . . . . 0.0 111.181 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -104.17 -6.95 20.52 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 122.377 0.271 . . . . 0.0 110.424 -178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 61.14 6.25 1.26 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.754 0.822 . . . . 0.0 111.605 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.417 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 1.9 p80 -132.83 145.16 50.73 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.8 mt -124.44 113.14 17.76 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.947 0.779 . . . . 0.0 111.886 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -101.48 173.8 6.27 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -46.95 -51.09 17.79 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -178.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -52.83 -54.82 28.79 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 111.542 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 39.3 tp10 -60.21 -50.8 72.22 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.033 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.6 t-105 -58.52 -59.57 5.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.845 0.355 . . . . 0.0 111.422 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 40.9 ttm180 -51.85 -55.8 17.81 Favored 'General case' 0 C--O 1.205 -1.264 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.936 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -63.18 -41.9 99.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 50' ' ' GLU . 0.3 OUTLIER -63.48 -54.09 41.81 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.295 0.372 . . . . 0.0 110.897 -178.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.2 mp -74.86 -27.75 60.38 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.1 tttp -55.82 -47.39 77.27 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.176 -0.61 . . . . 0.0 112.435 -176.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.0 t -61.1 -3.0 0.71 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -92.85 9.48 35.14 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 122.783 0.433 . . . . 0.0 110.354 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.01 7.72 63.95 Favored Glycine 0 N--CA 1.473 1.108 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.41 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 1.7 m80 -88.59 138.02 31.8 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.7 148.9 21.8 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 65' ' ' ILE . 22.2 t0 -57.66 -33.32 68.19 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 110.55 -0.167 . . . . 0.0 110.55 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.17 -49.71 68.79 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.797 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.43 -27.74 68.07 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.188 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 68' ' ' VAL . 51.9 mt -63.6 -25.41 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -58.86 -29.47 66.99 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.23 -0.919 . . . . 0.0 110.068 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.86 -44.71 39.39 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.778 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 65' ' ' ILE . 3.2 m -67.33 -23.23 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.397 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -62.27 -65.84 0.63 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 120.795 0.331 . . . . 0.0 111.152 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.63 -17.22 1.19 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.154 0.582 . . . . 0.0 112.028 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -54.15 -56.72 15.45 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.362 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -115.64 2.63 13.78 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.132 0.573 . . . . 0.0 110.603 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -100.69 71.55 1.49 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.2 t -57.66 -54.09 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.641 -177.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.22 -18.01 18.66 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.548 0.53 . . . . 0.0 109.676 178.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.546 ' C ' ' H ' ' A' ' 78' ' ' ARG . . . 36.71 66.49 0.48 Allowed Glycine 0 N--CA 1.475 1.25 0 O-C-N 123.959 0.787 . . . . 0.0 112.61 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.6 24.15 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 120.687 0.279 . . . . 0.0 110.66 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.546 ' H ' ' C ' ' A' ' 76' ' ' GLY . 14.0 tpp180 72.47 0.27 3.55 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.02 0.528 . . . . 0.0 110.294 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.1 p -145.51 139.55 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.4 mt -133.66 92.73 3.02 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -102.73 -167.21 1.36 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -40.38 -23.07 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.368 0 O-C-N 123.783 0.677 . . . . 0.0 112.502 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -66.67 -63.19 1.12 Allowed 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.302 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -88.53 -24.19 22.98 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.177 0.591 . . . . 0.0 112.02 177.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -65.1 -43.25 92.68 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.59 -177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 28.2 ttt -55.05 -49.4 71.71 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.252 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -61.57 -40.91 96.42 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.252 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.7 ttp -62.54 -61.83 2.16 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.265 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.75 -44.85 38.99 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.634 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -58.26 -43.78 88.08 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.033 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -65.95 -43.57 87.61 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.725 -0.216 . . . . 0.0 110.972 -179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.44 -45.98 92.01 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.209 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.31 -40.35 93.66 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.64 -22.27 78.54 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -60.18 -40.61 90.58 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.964 0.411 . . . . 0.0 110.73 -178.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -59.19 -44.28 92.2 Favored 'General case' 0 CA--C 1.528 0.111 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.715 -178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.3 m -59.4 -42.56 92.03 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.456 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.89 -44.69 94.08 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.109 0.481 . . . . 0.0 110.425 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.54 -36.01 70.84 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.402 179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -54.16 -44.51 71.51 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.875 0.369 . . . . 0.0 110.238 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -69.66 -46.88 65.11 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.306 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -52.92 -46.66 68.17 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 121.205 0.526 . . . . 0.0 110.416 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 74.7 mt -84.39 -2.01 56.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.709 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 56.84 172.37 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.337 0.398 . . . . 0.0 110.546 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -69.69 -69.56 0.34 Allowed 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 64.9 mt 49.6 -118.84 1.18 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.987 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.529 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.089 -1.604 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.89 102.06 0.01 OUTLIER Glycine 0 N--CA 1.468 0.827 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 mp -78.66 1.29 23.35 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 116.714 0.257 . . . . 0.0 110.495 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.4 t -138.42 68.75 46.57 Favored Pre-proline 0 C--O 1.239 0.519 0 O-C-N 123.709 0.63 . . . . 0.0 109.655 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -80.4 -63.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 121.874 1.716 . . . . 0.0 111.391 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -67.43 -41.12 85.33 Favored 'General case' 0 C--N 1.334 -0.079 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.5 -178.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.83 -62.95 3.27 Favored Glycine 0 N--CA 1.467 0.727 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.7 t 51.58 49.61 20.53 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.743 0.782 . . . . 0.0 110.585 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -59.99 -37.97 81.23 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.484 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.4 mmt -56.48 -48.92 76.12 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.292 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.49 -44.64 72.82 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.053 0.454 . . . . 0.0 110.493 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.8 p -55.58 -42.29 74.53 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.128 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.84 -41.65 96.25 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.661 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.7 ttt-85 -63.32 -45.15 92.63 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.873 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -70.33 -27.17 64.15 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.107 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -59.06 -53.94 52.68 Favored 'General case' 0 C--O 1.224 -0.282 0 O-C-N 123.83 0.706 . . . . 0.0 111.056 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.35 -40.6 88.97 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.094 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.73 -59.87 3.96 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.765 -178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -60.49 -27.63 67.72 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.387 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 86.1 mt -82.29 -37.15 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.641 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -51.89 -56.39 14.38 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.035 0.445 . . . . 0.0 110.928 -177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -63.17 -50.03 71.98 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.58 -178.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.752 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -42.95 -60.08 1.75 Allowed 'General case' 0 C--O 1.205 -1.287 0 CA-C-O 117.662 -1.161 . . . . 0.0 111.769 -173.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.3 pp -68.24 -56.44 8.68 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.768 0.667 . . . . 0.0 111.621 177.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.468 ' N ' HD12 ' A' ' 35' ' ' LEU . . . -48.05 -58.83 3.94 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.417 0.627 . . . . 0.0 109.989 -176.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -79.07 25.03 0.3 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.202 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.821 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -110.19 -55.73 2.42 Favored 'General case' 0 CA--C 1.492 -1.251 0 CA-C-O 117.422 -1.275 . . . . 0.0 112.034 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' ALA . 16.8 p-10 0.8 48.49 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.586 0 O-C-N 125.77 1.919 . . . . 0.0 111.397 -177.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.821 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.6 -51.83 66.91 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.715 -174.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -87.22 -14.56 40.73 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.933 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 62.0 54.16 2.84 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.547 0.53 . . . . 0.0 111.051 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -100.65 -24.32 14.46 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 65.33 9.63 5.84 Favored 'General case' 0 CA--C 1.51 -0.582 0 O-C-N 123.73 0.644 . . . . 0.0 111.41 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.516 ' CE1' ' H ' ' A' ' 80' ' ' LEU . 15.6 t-80 -121.66 136.91 54.93 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.3 mt -97.21 98.47 10.04 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.898 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -99.43 147.75 24.93 Favored 'General case' 0 CA--C 1.509 -0.599 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -40.74 -48.77 3.05 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -51.55 -56.21 14.73 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.587 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -60.63 -52.01 66.96 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.36 -179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -59.68 -59.94 4.64 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.043 0.449 . . . . 0.0 111.221 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.529 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 3.7 tmt_? -53.81 -54.11 42.99 Favored 'General case' 0 C--O 1.207 -1.176 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.633 -177.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -63.67 -45.69 88.99 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -59.39 -53.41 58.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.895 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.8 mp -74.54 -28.23 60.87 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.817 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 22.3 ttpp -57.67 -47.56 81.97 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.187 -0.605 . . . . 0.0 112.319 -178.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.0 m -65.15 -9.44 23.03 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 123.209 0.318 . . . . 0.0 111.156 -178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.46 23.6 0.62 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.36 -178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.67 7.7 81.26 Favored Glycine 0 N--CA 1.465 0.625 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.441 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.4 OUTLIER -99.47 148.92 23.74 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.73 171.67 14.29 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.418 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 48.4 t0 -77.17 -39.62 48.34 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.623 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.55 -44.58 23.89 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.6 -39.57 77.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.568 -177.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.3 tp -65.49 -24.78 35.39 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.815 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.667 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -57.99 -39.18 77.59 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.754 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.32 -40.78 94.17 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.972 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.4 t -65.37 -48.78 81.9 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.532 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -70.62 -57.46 4.7 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.002 -178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.41 -36.54 0.56 Allowed 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 121.394 0.616 . . . . 0.0 111.727 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -56.31 -9.92 0.79 Allowed 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.252 -0.885 . . . . 0.0 113.121 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -109.29 -5.69 15.79 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.456 0.702 . . . . 0.0 111.475 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.44 119.14 21.33 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.5 t -80.53 -58.71 3.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.75 -0.204 . . . . 0.0 111.283 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -115.79 11.64 15.67 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.438 0.461 . . . . 0.0 110.813 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.32 19.44 72.43 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -70.46 -13.22 62.03 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 63.65 28.8 15.11 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.5 t -144.16 118.69 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.516 ' H ' ' CE1' ' A' ' 45' ' ' HIS . 43.8 mt -137.66 108.43 6.65 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -89.15 -167.97 2.04 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.375 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.72 -15.08 2.67 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.409 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -62.23 -59.16 5.44 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.185 0.516 . . . . 0.0 112.149 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -83.6 -20.86 32.95 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.367 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -56.92 -35.96 69.62 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.674 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 70.5 mtp -58.24 -45.26 88.09 Favored 'General case' 0 CA--C 1.512 -0.519 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -57.81 -40.02 78.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.729 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 53.8 mtt -59.14 -61.03 2.94 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.484 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.19 73.83 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.992 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -54.16 -48.68 70.63 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.147 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.94 -41.93 77.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.285 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.3 mt -69.11 -35.87 76.89 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.491 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -69.54 -42.49 74.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.964 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.37 -45.92 35.99 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -59.21 -40.31 85.41 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.76 0.314 . . . . 0.0 110.644 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -66.7 -46.5 75.38 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.437 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 38.7 t -69.08 -23.97 64.09 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.326 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -84.77 -24.65 28.66 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.86 -44.38 69.97 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.367 -178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 101' ' ' ASN . 24.6 p30 -47.22 -28.2 1.8 Allowed 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.662 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 78.0 m-20 -70.82 -47.46 59.3 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-O 121.704 0.764 . . . . 0.0 109.583 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -52.22 -42.78 63.84 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.496 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 103' ' ' LEU . 9.8 mp -80.35 3.59 20.65 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.347 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 101' ' ' ASN . . . -91.34 -57.12 2.89 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -55.0 152.64 7.29 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.88 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.8 tp 63.69 -179.14 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.111 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 . . . . . 0 C--O 1.216 -0.675 0 CA-C-O 117.798 -1.096 . . . . 0.0 110.337 179.121 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.33 19.42 70.5 Favored Glycine 0 N--CA 1.47 0.94 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.8 tp -63.27 -45.3 92.12 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.117 0.484 . . . . 0.0 110.289 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 t -63.99 119.78 58.16 Favored Pre-proline 0 CA--C 1.551 1.005 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.819 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -75.28 -30.3 6.92 Favored 'Trans proline' 0 N--CA 1.505 2.152 0 C-N-CA 122.121 1.881 . . . . 0.0 111.757 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -63.85 -63.8 1.07 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.025 0.441 . . . . 0.0 110.759 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 62.06 107.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.166 -1.174 . . . . 0.0 110.166 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.1 t -165.83 -174.85 3.19 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -151.28 -59.13 0.17 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.117 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 66.3 mtp -62.2 -47.2 85.51 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.11 0.481 . . . . 0.0 110.724 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.07 -48.65 73.22 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.701 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.0 p -54.91 -45.78 74.77 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.067 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -62.06 -43.61 98.46 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.79 0.329 . . . . 0.0 111.02 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -65.8 -39.85 91.31 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -64.54 -40.13 95.03 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.693 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -56.82 -49.67 74.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.5 mt -58.54 -48.95 84.03 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.77 -30.99 64.17 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.465 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -85.74 -35.28 20.89 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.493 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.8 mt -82.21 -36.47 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.937 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -58.1 -57.46 12.75 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -62.12 -55.44 28.83 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 124.214 0.946 . . . . 0.0 110.236 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.756 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.82 -55.61 4.39 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-O 118.526 -0.749 . . . . 0.0 109.587 -176.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.522 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 3.4 tm? -70.34 -59.99 2.54 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 124.821 1.326 . . . . 0.0 111.141 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.43 -57.45 6.07 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 122.156 0.979 . . . . 0.0 110.402 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -76.11 27.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.14 -1.845 . . . . 0.0 110.149 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -113.57 -55.6 2.49 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.12 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 38' ' ' ALA . 61.6 m-20 8.74 49.21 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.741 0 O-C-N 125.809 1.943 . . . . 0.0 110.151 -178.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.03 -51.96 67.4 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.306 -174.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -79.88 -14.91 58.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.388 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 52.67 55.74 8.62 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.748 0.308 . . . . 0.0 110.713 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.3 p-10 -106.84 -15.12 14.81 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 68.59 8.24 6.57 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.618 0.574 . . . . 0.0 110.464 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.35 169.76 9.99 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mp -124.31 102.96 7.95 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.748 1.28 . . . . 0.0 111.24 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -102.91 141.58 35.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 52' ' ' ARG . 22.4 t80 -40.57 -47.6 2.73 Favored 'General case' 0 C--O 1.209 -1.039 0 O-C-N 124.549 1.156 . . . . 0.0 112.264 -177.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -50.81 -50.11 57.04 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.238 0.336 . . . . 0.0 111.495 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -59.45 -51.89 67.96 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.641 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -70.98 -18.55 62.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.092 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' PHE . 56.9 ttp180 -79.77 -62.46 1.68 Allowed 'General case' 0 C--O 1.216 -0.663 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -69.52 -37.09 77.0 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.895 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -60.14 -55.38 34.57 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.292 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.35 -32.57 68.68 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.565 -175.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -56.14 -48.2 76.71 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.4 p -60.47 -8.96 3.07 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.372 0.42 . . . . 0.0 111.43 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -85.67 21.22 1.9 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.694 0.398 . . . . 0.0 110.82 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.53 14.18 78.76 Favored Glycine 0 C--O 1.226 -0.397 0 N-CA-C 111.453 -0.659 . . . . 0.0 111.453 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.442 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -104.2 154.83 19.29 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 179.437 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.17 167.93 15.26 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -78.05 -33.4 51.0 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.747 0.655 . . . . 0.0 111.928 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.75 -44.8 26.55 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.595 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -58.33 -42.99 88.01 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.177 -176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.3 pt -68.68 -23.7 28.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.475 -179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -61.8 -39.33 91.36 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.121 0.263 . . . . 0.0 110.692 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.79 -41.35 87.76 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.753 0.658 . . . . 0.0 110.561 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 t -71.17 -36.61 63.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.472 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -75.69 -62.62 1.52 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.147 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.83 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 CA-C-O 121.178 0.513 . . . . 0.0 111.926 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -55.04 -11.04 0.59 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.21 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -109.17 -5.55 15.91 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 122.646 0.378 . . . . 0.0 111.406 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -92.87 57.74 2.87 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.33 -45.22 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 -178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -69.47 -13.71 62.49 Favored 'General case' 0 C--O 1.23 0.046 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.23 12.04 68.39 Favored Glycine 0 C--N 1.341 0.826 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -89.65 -15.03 33.58 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 117.087 0.443 . . . . 0.0 110.285 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 71.84 35.52 1.35 Allowed 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.626 0.579 . . . . 0.0 112.182 178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.494 ' C ' HD23 ' A' ' 80' ' ' LEU . 2.4 m -146.31 124.33 4.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -140.89 109.52 5.97 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.545 -178.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -99.41 -168.12 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.87 -17.23 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.177 0.591 . . . . 0.0 112.058 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.9 tt0 -66.26 -61.45 2.01 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.747 -178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -86.24 -21.8 27.22 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.225 0.536 . . . . 0.0 111.158 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -60.97 -45.5 94.53 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.839 -176.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -51.2 -46.58 62.22 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.131 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -59.04 -41.33 87.58 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.187 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.1 ttt -65.44 -60.07 3.34 Favored 'General case' 0 CA--C 1.527 0.083 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.445 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.72 -39.71 74.41 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.242 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -60.55 -51.27 70.13 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -70.41 -37.09 74.39 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.76 -44.66 95.63 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.148 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -63.24 -37.66 88.1 Favored 'General case' 0 C--N 1.335 -0.057 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.882 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -77.3 -27.45 59.69 Favored Glycine 0 C--N 1.339 0.7 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.71 -42.63 99.74 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.763 0.316 . . . . 0.0 110.19 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.05 -42.64 98.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.675 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.0 m -61.99 -42.04 98.71 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.267 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -62.76 -39.38 93.97 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.27 -42.07 69.24 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.079 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -44.91 80.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 104' ' ' ALA . 25.7 t-20 -63.93 -59.55 4.37 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.22 -178.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.482 ' C ' ' H ' ' A' ' 104' ' ' ALA . 90.7 mm-40 -44.3 -34.0 1.79 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.352 0.596 . . . . 0.0 110.575 -179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 tp -65.95 6.59 0.35 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.724 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 102' ' ' GLN . . . -59.82 -50.42 73.87 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -58.21 89.35 0.01 OUTLIER 'General case' 0 C--N 1.346 0.438 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.153 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.7 tt -160.15 99.56 1.35 Allowed 'General case' 0 CA--C 1.514 -0.412 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 . . . . . 0 CA--C 1.539 0.522 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.924 178.861 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.063 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.41 83.73 0.06 OUTLIER Glycine 0 N--CA 1.466 0.685 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 tt -161.78 -52.4 0.04 OUTLIER 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.233 0.539 . . . . 0.0 109.636 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.8 t -52.21 118.96 13.46 Favored Pre-proline 0 CA--C 1.552 1.045 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.135 -177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -73.95 160.68 42.72 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 122.014 1.809 . . . . 0.0 110.847 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.9 mtp85 -71.67 -7.53 48.53 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.747 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.89 145.02 43.97 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 110.202 -1.159 . . . . 0.0 110.202 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.7 m -65.24 -78.57 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -168.06 -58.53 0.02 OUTLIER 'General case' 0 C--O 1.227 -0.103 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.131 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 38.4 ttm -61.34 -38.94 88.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.72 -33.69 23.94 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.474 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.2 p -63.75 -37.21 86.53 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.032 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -57.29 -43.32 83.08 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.438 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -63.55 -44.83 93.01 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.3 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -68.65 -29.12 67.54 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.247 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.14 -59.25 5.71 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.333 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.8 pt -63.2 -38.62 82.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.748 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.52 -30.53 65.22 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.582 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -85.06 -34.64 22.22 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.29 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.3 mt -82.29 -36.94 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.686 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -58.21 -58.72 7.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.473 0.483 . . . . 0.0 111.194 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -61.71 -56.12 23.03 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.778 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.741 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -44.38 -58.74 2.76 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.09 -175.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.7 tp -65.32 -59.54 3.94 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 124.611 1.194 . . . . 0.0 111.726 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.92 -54.08 13.85 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.564 0.697 . . . . 0.0 109.861 -176.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -83.36 23.75 0.88 Allowed 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.672 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.789 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -107.3 -55.26 2.36 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.353 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 38' ' ' ALA . 19.1 p-10 1.71 50.04 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.019 0 O-C-N 125.351 1.657 . . . . 0.0 110.962 -177.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.789 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -61.91 -51.01 69.91 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.571 -174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -91.87 -16.41 26.73 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.689 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 57.31 55.59 5.73 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 123.351 0.407 . . . . 0.0 111.79 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -99.06 -18.82 17.55 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 70.64 5.93 5.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.525 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -121.42 134.42 55.09 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 46' ' ' LEU . 4.2 mm? -85.18 114.79 22.56 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -104.79 134.66 47.55 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.419 -1.264 . . . . 0.0 108.246 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -44.88 -44.13 9.37 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.676 -179.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -53.87 -52.73 59.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.932 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -62.43 -51.94 65.51 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.732 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.408 ' NE1' HD12 ' A' ' 55' ' ' LEU . 23.0 t-105 -60.45 -60.02 4.48 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-O 121.066 0.46 . . . . 0.0 110.981 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 7.1 tmm_? -50.87 -50.53 56.88 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.469 -177.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -66.1 -40.51 90.84 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.128 0.893 . . . . 0.0 111.699 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.4 tp10 -60.91 -53.49 56.61 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 123.746 0.654 . . . . 0.0 111.218 -177.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.408 HD12 ' NE1' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -74.89 -28.66 60.73 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.804 -176.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 88.2 tttt -55.42 -48.19 74.8 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 -176.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.8 p -59.51 -4.15 0.57 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.4 ' H ' ' C ' ' A' ' 56' ' ' LYS . 33.0 mtp85 -100.32 13.2 35.19 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.498 0.499 . . . . 0.0 111.747 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.53 -20.78 25.37 Favored Glycine 0 N--CA 1.476 1.348 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -64.29 142.19 58.5 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.34 168.19 11.23 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -76.99 -33.64 57.57 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.8 0.688 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.82 -46.71 67.92 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -177.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.18 -40.66 96.58 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 25.8 pt -76.43 -22.38 15.33 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.832 0 O-C-N 123.189 0.306 . . . . 0.0 110.889 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -54.9 -40.73 70.13 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.454 0.471 . . . . 0.0 111.516 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.24 -31.9 66.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.994 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.0 t -84.74 -37.56 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -74.37 -36.79 63.58 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.86 -177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.72 -15.95 58.78 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 123.151 0.58 . . . . 0.0 111.768 -178.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -56.62 -12.52 1.84 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -106.19 -2.08 22.89 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 122.336 0.254 . . . . 0.0 110.974 -178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.32 136.46 33.47 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -58.99 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.692 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -116.73 27.44 9.17 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.544 0.738 . . . . 0.0 110.662 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.15 39.75 98.06 Favored Glycine 0 C--N 1.343 0.945 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.4 p30 -74.17 -15.46 61.02 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 118.946 -0.55 . . . . 0.0 110.451 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 75.11 -0.22 3.36 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 124.502 1.126 . . . . 0.0 111.728 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.462 ' C ' HD23 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -148.31 133.74 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 116.189 -0.46 . . . . 0.0 109.888 -179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.61 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -141.78 134.99 29.24 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 177.546 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -87.62 -168.06 2.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.329 0.585 . . . . 0.0 109.89 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.32 -14.9 0.11 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.285 177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -68.32 -62.36 1.43 Allowed 'General case' 0 C--N 1.343 0.296 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.61 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.51 -21.97 26.66 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.898 0.479 . . . . 0.0 111.393 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -62.3 -38.9 91.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.493 -177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 37.5 ttm -53.51 -46.9 70.26 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -59.0 -39.57 82.23 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.258 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 28.2 ttt -64.69 -60.98 2.49 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.747 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.39 20.16 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.534 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -63.96 -47.39 80.63 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.293 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -61.24 -41.72 97.37 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.144 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.15 -38.31 87.81 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.976 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -72.22 -49.14 37.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.306 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.58 -17.73 60.44 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -58.33 -40.87 83.25 Favored 'General case' 0 C--O 1.218 -0.605 0 CA-C-N 115.107 -0.547 . . . . 0.0 110.767 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.02 -56.13 25.75 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.931 0.396 . . . . 0.0 111.465 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 93.9 p -53.72 -41.92 67.54 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.326 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -59.86 -47.09 87.13 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.07 -32.7 61.56 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.467 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -57.67 -48.95 78.09 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.851 -0.339 . . . . 0.0 110.091 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' GLU . 63.7 m-80 -69.28 -49.33 57.07 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.293 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -48.95 -44.94 41.19 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.209 0.528 . . . . 0.0 111.047 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 56.5 mt -72.98 4.68 3.96 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.749 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -130.63 -66.54 0.76 Allowed 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 101' ' ' ASN . 41.1 tp10 -48.07 133.63 14.77 Favored 'General case' 0 C--N 1.347 0.457 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.472 ' HB3' ' H ' ' A' ' 107' ' ' GLU . 3.7 mm? 38.39 -135.47 0.1 Allowed 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.332 1.02 . . . . 0.0 109.791 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.472 ' H ' ' HB3' ' A' ' 106' ' ' LEU . 71.7 mm-40 . . . . . 0 C--N 1.313 -0.983 0 CA-C-O 117.862 -1.066 . . . . 0.0 108.795 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.054 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 70.82 22.5 78.23 Favored Glycine 0 N--CA 1.471 1.017 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.8 mt -68.88 155.0 41.02 Favored 'General case' 0 CA--C 1.497 -1.093 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.2 p -160.87 130.26 3.23 Favored Pre-proline 0 N--CA 1.443 -0.802 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.891 178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.94 -37.77 57.0 Favored 'Trans proline' 0 N--CA 1.506 2.231 0 C-N-CA 122.242 1.961 . . . . 0.0 112.787 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -60.95 149.85 35.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.169 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.01 101.59 0.15 Allowed Glycine 0 C--N 1.33 0.244 0 N-CA-C 110.091 -1.204 . . . . 0.0 110.091 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.4 t -62.08 -12.13 17.6 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.724 0.297 . . . . 0.0 110.666 179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -58.18 -41.85 84.78 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.462 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 67.7 mtt -71.51 -46.6 59.25 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.012 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.66 -35.01 12.88 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 120.986 0.422 . . . . 0.0 110.434 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.8 m -59.31 -38.09 79.4 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.581 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -60.96 -41.86 97.15 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.196 0.522 . . . . 0.0 110.422 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.407 HH21 ' CD1' ' A' ' 103' ' ' LEU . 38.4 ttm180 -60.99 -46.97 88.61 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.066 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -70.46 -27.68 64.42 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.429 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.93 -58.82 6.88 Favored 'General case' 0 C--O 1.222 -0.384 0 O-C-N 123.707 0.629 . . . . 0.0 111.211 -178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.83 -43.05 96.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.086 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.57 -57.79 9.48 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.811 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -31.93 72.32 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.677 -178.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.7 mt -78.65 -36.9 20.18 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.595 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.83 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -57.91 -57.87 10.89 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.159 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -60.96 -54.98 38.29 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 123.914 0.759 . . . . 0.0 110.186 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.809 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.84 -57.4 3.29 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.279 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.553 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 24.7 tp -69.73 -59.25 3.07 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 124.221 0.951 . . . . 0.0 111.489 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 38' ' ' ALA . . . -49.12 -58.29 5.22 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-O 122.19 0.995 . . . . 0.0 110.072 -176.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -72.58 24.44 0.06 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 113.993 -1.458 . . . . 0.0 110.801 177.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.809 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -116.24 -54.95 2.44 Favored 'General case' 0 CA--C 1.477 -1.831 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.4 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ALA . 61.2 m-20 6.82 50.1 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.559 0 O-C-N 125.663 1.852 . . . . 0.0 110.578 -178.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.678 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.61 -52.31 65.7 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.099 -173.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' ALA . 64.0 m-80 -90.3 18.67 5.81 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.92 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 41' ' ' ASN . . . 29.29 53.4 0.1 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 124.094 0.871 . . . . 0.0 109.833 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -95.68 -24.75 16.4 Favored 'General case' 0 CA--C 1.502 -0.893 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.466 -177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 65.64 8.28 5.05 Favored 'General case' 0 CA--C 1.512 -0.491 0 O-C-N 124.095 0.872 . . . . 0.0 111.614 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.617 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -121.44 174.21 6.89 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.664 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 45' ' ' HIS . 6.7 mp -124.84 102.25 7.47 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.545 1.153 . . . . 0.0 112.083 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -104.13 142.84 33.78 Favored 'General case' 0 C--O 1.242 0.664 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' ARG . 17.2 t80 -38.79 -48.96 1.58 Allowed 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 123.418 0.687 . . . . 0.0 112.543 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -47.67 -54.88 10.71 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.356 0.598 . . . . 0.0 111.447 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.41 -52.37 65.9 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.771 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.484 ' CE2' HD22 ' A' ' 55' ' ' LEU . 49.7 t-105 -69.16 -20.01 64.01 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.236 -178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' PHE . 5.6 tmm_? -81.78 -62.46 1.63 Allowed 'General case' 0 C--O 1.214 -0.775 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -178.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -70.67 -38.98 73.82 Favored 'General case' 0 CA--C 1.498 -1.032 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.438 -176.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -60.14 -54.39 46.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.894 -176.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.484 HD22 ' CE2' ' A' ' 51' ' ' TRP . 9.4 mp -76.18 -26.87 56.61 Favored 'General case' 0 CA--C 1.49 -1.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -176.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.74 -48.15 78.42 Favored 'General case' 0 C--N 1.314 -0.947 0 C-N-CA 119.868 -0.733 . . . . 0.0 112.937 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.1 p -61.18 -6.34 2.01 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.895 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -89.07 18.38 5.0 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 86.74 7.95 77.47 Favored Glycine 0 C--O 1.223 -0.543 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -95.37 148.22 22.68 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.4 162.77 17.13 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.53 0.519 . . . . 0.0 109.622 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -71.3 -35.53 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.145 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.45 -46.29 20.12 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.271 0.558 . . . . 0.0 112.211 -179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -61.8 -39.13 90.66 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 -177.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.411 HG13 ' HE1' ' A' ' 51' ' ' TRP . 2.8 tp -71.81 -26.67 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.726 0 CA-C-O 121.745 0.784 . . . . 0.0 111.614 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.62 -40.56 76.53 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.828 -176.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.0 -50.51 73.16 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.373 -0.83 . . . . 0.0 112.091 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.84 -27.81 28.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 71' ' ' LYS . 80.5 t80 -74.32 -62.16 1.61 Allowed 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.503 ' O ' ' OD1' ' A' ' 73' ' ' ASP . . . -40.83 -21.51 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 122.481 1.134 . . . . 0.0 111.098 -178.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' PHE . 80.3 tttt -53.94 -11.95 0.5 Allowed 'General case' 0 C--N 1.31 -1.125 0 O-C-N 121.113 -0.992 . . . . 0.0 111.36 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -108.93 -7.59 15.39 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.503 ' OD1' ' O ' ' A' ' 70' ' ' ALA . 42.0 p30 -91.01 58.95 3.91 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.9 t -51.74 -46.91 39.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.803 -178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -73.45 -13.5 61.08 Favored 'General case' 0 C--O 1.225 -0.2 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.885 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.68 20.41 77.32 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 110.196 -1.162 . . . . 0.0 110.196 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -79.89 -15.33 57.56 Favored 'General case' 0 CA--C 1.499 -1.009 0 CA-C-O 118.993 -0.527 . . . . 0.0 110.322 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 ttm-85 80.17 0.49 2.02 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 124.704 1.253 . . . . 0.0 111.89 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 m -144.43 140.33 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.78 133.66 25.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -96.53 -168.34 1.71 Allowed 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -48.73 -16.6 0.13 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.751 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -64.42 -61.06 2.46 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.536 -177.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -86.33 -22.43 26.72 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.045 0.538 . . . . 0.0 110.551 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -61.12 -36.48 79.84 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.566 -177.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 40.0 ttp -58.22 -45.38 87.79 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.91 -39.4 85.29 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.283 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.0 ttp -58.83 -62.3 1.98 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.3 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.19 -48.72 54.01 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.35 -39.46 67.15 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.369 0.604 . . . . 0.0 111.177 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.4 -42.23 79.31 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.62 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.53 -27.44 65.17 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.201 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -70.24 -42.78 71.78 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.437 0.461 . . . . 0.0 110.185 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.75 -39.84 90.01 Favored Glycine 0 C--N 1.338 0.674 0 N-CA-C 110.829 -0.909 . . . . 0.0 110.829 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.35 -42.32 98.5 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.91 -49.84 75.82 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.808 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.9 p -68.9 -44.72 72.62 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.047 0.451 . . . . 0.0 110.449 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.83 -38.11 89.47 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.241 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.1 tp -64.49 -44.91 89.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.471 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -53.63 -38.07 63.7 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.741 -178.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -68.56 -52.11 35.43 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.399 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -49.07 -40.28 31.08 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.09 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.407 ' CD1' HH21 ' A' ' 25' ' ' ARG . 69.6 mt -97.09 -1.77 44.58 Favored 'General case' 0 CA--C 1.497 -1.081 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.3 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 56.65 176.28 0.04 OUTLIER 'General case' 0 C--O 1.237 0.435 0 CA-C-O 121.099 0.476 . . . . 0.0 110.188 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -69.77 -68.93 0.38 Allowed 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.769 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.3 tp 57.9 -120.1 1.21 Allowed 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.139 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 CA--C 1.537 0.466 0 CA-C-O 117.843 -1.075 . . . . 0.0 110.394 178.688 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.38 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.27 56.67 20.64 Favored Glycine 0 N--CA 1.469 0.868 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.2 mm? -70.01 129.99 40.96 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.5 m -67.03 146.31 99.05 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.318 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -72.86 3.26 4.57 Favored 'Trans proline' 0 N--CA 1.503 2.058 0 C-N-CA 122.083 1.856 . . . . 0.0 111.127 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 53.5 33.1 15.38 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 121.1 0.476 . . . . 0.0 110.653 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -169.68 72.25 0.13 Allowed Glycine 0 N--CA 1.465 0.622 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.0 m -162.9 64.29 0.19 Allowed 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.405 0.622 . . . . 0.0 109.909 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -61.63 -36.39 80.63 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.001 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 72.5 mmm -61.41 -49.45 76.81 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.945 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.45 -45.33 76.88 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.716 0.293 . . . . 0.0 110.451 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.6 t -55.8 -43.98 77.36 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.43 -44.63 95.57 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.768 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -66.14 -41.8 89.96 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.99 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.42 -39.5 94.65 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -57.65 -52.16 66.55 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.492 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.0 mt -57.68 -47.91 84.57 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.78 -45.79 74.34 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 120.904 0.383 . . . . 0.0 111.12 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.82 -36.74 64.98 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.927 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.5 mt -77.3 -38.88 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 122.565 0.346 . . . . 0.0 111.301 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.91 -57.34 13.07 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -62.0 -56.94 13.96 Favored 'General case' 0 C--N 1.345 0.389 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.979 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.659 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.32 -56.32 3.59 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.638 -175.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 37.1 tp -67.37 -59.42 3.41 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 123.698 0.624 . . . . 0.0 111.335 178.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.41 -57.47 5.28 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-O 121.69 0.757 . . . . 0.0 110.16 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -78.73 25.26 0.27 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.418 -1.265 . . . . 0.0 109.71 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.681 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -109.55 -55.56 2.41 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.682 179.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' ALA . 15.0 p-10 4.46 51.07 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.618 0 O-C-N 125.683 1.865 . . . . 0.0 111.118 -177.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.17 -51.47 67.7 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.937 -174.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -85.64 -14.58 45.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.106 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 55.35 55.46 7.41 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.075 0.464 . . . . 0.0 110.599 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -102.29 -18.92 15.23 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.89 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 63.36 7.86 3.15 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.478 0.486 . . . . 0.0 111.778 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -122.66 138.17 54.68 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -90.04 100.49 13.3 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -95.92 137.09 35.49 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -44.47 -43.46 7.84 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -177.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -52.99 -55.57 22.56 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.035 -178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -58.45 -49.38 77.52 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 49.3 t-105 -58.23 -59.63 5.02 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.843 0.354 . . . . 0.0 110.561 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -53.64 -54.17 41.57 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.979 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -62.69 -44.59 95.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.752 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -61.39 -54.12 47.82 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.287 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.12 -39.13 75.63 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.612 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -49.64 -47.82 49.66 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -175.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 60.8 m -60.7 -9.22 3.64 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.809 0.3 . . . . 0.0 111.809 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -88.28 18.14 4.65 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.454 0.301 . . . . 0.0 110.66 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.9 10.91 77.89 Favored Glycine 0 N--CA 1.472 1.038 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -97.31 148.47 23.1 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.33 172.67 9.68 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.816 0.341 . . . . 0.0 110.132 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -75.95 -32.1 59.37 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.255 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.04 -43.52 24.06 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -60.69 -41.49 95.25 Favored 'General case' 0 C--N 1.347 0.489 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 pp -69.4 -28.28 37.64 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.623 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -66.19 -43.67 86.14 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.82 76.15 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.935 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -72.73 -29.89 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.813 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -75.38 -63.35 1.3 Allowed 'General case' 0 C--N 1.346 0.43 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.11 -24.67 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -57.06 -10.84 1.26 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.786 1.234 . . . . 0.0 111.288 177.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -110.71 -9.38 14.51 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-O 119.045 -0.502 . . . . 0.0 110.785 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 78' ' ' ARG . 56.3 t0 -89.07 62.48 6.27 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.31 -45.0 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.415 -177.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -70.33 -13.93 62.36 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.343 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.83 17.09 66.94 Favored Glycine 0 C--N 1.345 1.053 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.23 -15.07 32.1 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 119.664 -0.208 . . . . 0.0 110.508 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' H ' ' CG ' ' A' ' 73' ' ' ASP . 74.3 mtp180 67.99 41.03 2.15 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.803 0.69 . . . . 0.0 111.837 179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.687 ' C ' HD22 ' A' ' 80' ' ' LEU . 13.6 p -146.28 119.33 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 N-CA-C 107.462 -1.31 . . . . 0.0 107.462 178.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 79' ' ' VAL . 2.9 mm? -133.34 103.39 5.94 Favored 'General case' 0 N--CA 1.463 0.198 0 O-C-N 123.725 0.64 . . . . 0.0 110.249 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 21.3 p-10 -86.64 -168.79 2.37 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.379 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.39 -13.9 1.65 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.79 0.836 . . . . 0.0 112.824 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -65.19 -59.64 3.87 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -178.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' CD ' HD12 ' A' ' 80' ' ' LEU . 48.0 mt-10 -82.81 -19.86 36.87 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.402 0.681 . . . . 0.0 110.308 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -57.01 -36.04 69.94 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 120.825 0.345 . . . . 0.0 110.391 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 68.1 mtt -58.06 -44.91 87.74 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -57.36 -43.26 83.35 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.96 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 83.7 mtp -58.72 -61.46 2.6 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.743 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.53 -52.56 46.01 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.7 0.286 . . . . 0.0 111.049 179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -54.1 -42.82 69.82 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 120.926 0.393 . . . . 0.0 111.364 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.19 -45.77 75.93 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.707 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.81 -32.52 73.86 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.999 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -65.89 -43.29 88.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.752 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.64 -44.8 88.87 Favored Glycine 0 N--CA 1.472 1.09 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -57.92 -42.36 84.61 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.564 0.221 . . . . 0.0 110.456 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -60.56 -48.13 83.13 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.5 m -62.2 -42.52 99.37 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.525 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -62.84 -39.51 94.57 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.573 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 34.2 mt -69.05 -41.79 77.17 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.051 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.414 ' HB3' HD21 ' A' ' 106' ' ' LEU . 92.7 m-20 -57.31 -44.04 83.77 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.449 -179.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -71.53 -52.65 17.12 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.428 0.455 . . . . 0.0 111.195 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -44.63 -37.5 3.67 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.333 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 70.0 mt -107.11 -8.57 16.45 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.769 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 43.39 -157.73 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.048 0 O-C-N 123.314 0.384 . . . . 0.0 110.127 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 45.77 84.74 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 177.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.414 HD21 ' HB3' ' A' ' 100' ' ' ASN . 48.7 mt -88.91 49.57 1.81 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 118.158 -0.925 . . . . 0.0 109.287 179.031 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.286 -1.526 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.24 170.69 42.91 Favored Glycine 0 N--CA 1.465 0.576 0 N-CA-C 110.056 -1.218 . . . . 0.0 110.056 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.3 mm? -64.56 -41.3 96.4 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-O 121.212 0.529 . . . . 0.0 110.525 -179.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.13 149.86 43.97 Favored Pre-proline 0 N--CA 1.439 -1.003 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.423 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -48.28 142.72 16.23 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.116 1.877 . . . . 0.0 111.972 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -69.34 146.13 52.4 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.86 -49.97 0.02 OUTLIER Glycine 0 N--CA 1.463 0.476 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.5 m 51.64 27.94 4.38 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.889 0.376 . . . . 0.0 110.927 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.96 54.85 0.53 Allowed 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.914 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.0 mmt -62.09 -25.95 68.01 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.091 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.41 -37.33 62.41 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.389 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.0 p -64.47 -40.54 95.88 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.229 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.66 -43.47 84.99 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.312 0.577 . . . . 0.0 110.468 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -64.83 -39.06 92.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.91 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.09 -37.57 87.75 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.13 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.23 -50.55 73.17 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.332 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.0 mt -61.19 -48.29 89.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.67 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.79 -31.23 64.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.354 -179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -85.85 -33.52 21.27 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.907 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.8 mt -81.9 -35.55 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.489 0 CA-C-N 116.648 -0.251 . . . . 0.0 110.877 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.17 -57.26 12.17 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -177.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.91 -59.07 5.66 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.477 -179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.749 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.09 -54.68 4.24 Favored 'General case' 0 C--O 1.206 -1.197 0 CA-C-O 118.611 -0.709 . . . . 0.0 109.925 -175.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.495 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 2.2 tp -67.81 -59.91 2.93 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 124.15 0.906 . . . . 0.0 111.313 178.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.52 -56.42 7.13 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.585 0.707 . . . . 0.0 110.035 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.447 ' ND1' ' N ' ' A' ' 37' ' ' HIS . 2.2 m80 -78.59 27.48 0.21 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.175 178.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.749 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -114.15 -56.28 2.41 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-O 118.054 -0.974 . . . . 0.0 111.797 179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 38' ' ' ALA . 15.9 p-10 6.92 51.18 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.308 0 O-C-N 125.55 1.781 . . . . 0.0 110.485 -177.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.83 -52.5 65.19 Favored 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.322 -175.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -81.05 -14.88 57.41 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.566 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 52.92 56.86 6.99 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.202 0.314 . . . . 0.0 110.944 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.1 p-10 -108.24 -15.5 14.47 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 64.84 8.18 4.42 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.902 179.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 46' ' ' LEU . 9.9 t-80 -122.92 136.88 55.02 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' N ' ' ND1' ' A' ' 45' ' ' HIS . 40.6 mt -92.81 102.68 15.07 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 123.793 0.683 . . . . 0.0 111.711 -178.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -102.03 142.03 33.96 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' ARG . 5.5 t80 -38.43 -47.36 1.25 Allowed 'General case' 0 C--O 1.208 -1.116 0 O-C-N 124.464 1.102 . . . . 0.0 111.542 -177.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -49.29 -53.99 19.18 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.291 0.37 . . . . 0.0 111.337 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -59.77 -52.15 66.71 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.607 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -68.98 -20.27 64.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.153 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 48' ' ' PHE . 71.8 ttt-85 -81.33 -62.57 1.62 Allowed 'General case' 0 C--O 1.216 -0.687 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -70.41 -37.88 74.53 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.024 -174.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -59.51 -56.05 26.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.435 -176.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -71.11 -33.24 69.97 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.058 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.86 -48.23 70.23 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.219 -0.593 . . . . 0.0 112.242 -176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 73.3 m -59.7 -10.02 3.29 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.501 0.501 . . . . 0.0 111.304 -177.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -86.75 20.41 2.57 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 122.556 0.342 . . . . 0.0 110.868 -178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.28 12.86 78.04 Favored Glycine 0 N--CA 1.462 0.431 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -102.59 152.67 20.9 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -87.98 152.45 22.04 Favored 'General case' 0 C--O 1.224 -0.267 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -65.57 -32.33 73.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.52 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.09 -46.53 20.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.437 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -57.57 -40.06 78.11 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.378 -177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.9 mt -62.34 -22.9 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.709 -179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -63.29 -38.68 92.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.897 -177.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.73 -46.87 80.41 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.031 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.93 -37.15 76.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.297 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.552 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -78.27 -61.94 1.84 Allowed 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.693 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.77 -28.46 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.503 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -54.76 -10.69 0.49 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.359 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -112.03 -4.75 14.4 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 122.614 0.366 . . . . 0.0 111.883 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.483 ' CG ' ' H ' ' A' ' 78' ' ' ARG . 50.7 t0 -90.41 58.16 3.91 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.0 t -55.9 -46.44 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.228 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -69.92 -13.87 62.46 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -177.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.2 13.45 76.58 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.5 p30 -81.91 -14.49 56.09 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.74 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.483 ' H ' ' CG ' ' A' ' 73' ' ' ASP . 87.3 mtt-85 74.64 5.52 4.47 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 124.374 1.046 . . . . 0.0 111.74 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.8 m -144.18 134.94 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 pp -142.79 133.66 25.51 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -98.33 -166.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 123.805 0.842 . . . . 0.0 109.776 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.33 -15.62 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.096 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -62.31 1.53 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.122 -178.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -86.51 -22.13 26.57 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.141 0.496 . . . . 0.0 111.377 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -62.29 -41.51 98.57 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.502 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.8 ttt -50.97 -47.05 61.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.033 0.444 . . . . 0.0 111.489 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -61.1 -35.36 76.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.983 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.7 ttt -67.26 -59.51 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.497 0.498 . . . . 0.0 110.542 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.28 -38.89 63.5 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.176 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -45.44 84.2 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.545 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.87 -37.82 88.4 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 121.361 -0.136 . . . . 0.0 110.928 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.96 -34.55 78.01 Favored 'General case' 0 CA--C 1.506 -0.718 0 O-C-N 123.443 0.465 . . . . 0.0 110.672 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -68.19 -43.36 78.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.717 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -71.84 -29.26 67.51 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 110.639 -0.984 . . . . 0.0 110.639 -179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.82 -42.95 99.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.861 0.363 . . . . 0.0 110.495 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -59.55 -45.33 92.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.481 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.1 t -63.55 -43.43 97.07 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.519 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -61.64 -41.03 96.93 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.515 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 40.2 mt -65.66 -43.93 87.85 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.325 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -44.21 65.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.546 -179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -67.43 -51.99 45.03 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.553 -179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -49.9 -42.59 48.34 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.845 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 103' ' ' LEU . 4.4 mm? -89.86 -0.59 57.65 Favored 'General case' 0 CA--C 1.492 -1.277 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.744 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 60.58 165.9 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 123.963 0.79 . . . . 0.0 109.993 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 105' ' ' GLU . 5.4 mp0 -68.7 -74.38 0.13 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.872 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 tp 53.81 -106.63 0.32 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.308 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 . . . . . 0 CA--C 1.539 0.545 0 CA-C-O 118.36 -0.829 . . . . 0.0 109.837 179.714 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.28 32.04 0.04 OUTLIER Glycine 0 N--CA 1.472 1.099 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.2 mt -69.03 121.51 16.81 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.502 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 6.7 t -89.07 -38.27 0.43 Allowed Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 123.705 0.802 . . . . 0.0 109.653 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 15' ' ' VAL . 70.5 Cg_endo -83.16 92.89 0.86 Allowed 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 121.704 1.603 . . . . 0.0 110.968 -178.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -68.12 161.63 26.5 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.348 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 59.33 -115.63 7.68 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.5 t 52.57 59.62 4.37 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.172 0.51 . . . . 0.0 111.053 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.1 64.29 0.07 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.2 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -35.33 78.43 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.99 -34.35 42.15 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.657 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.7 t -63.32 -40.01 96.13 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.655 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -62.64 -42.91 99.86 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.34 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -63.76 -44.54 93.17 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.089 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -67.04 -31.78 72.54 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.011 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -58.81 -51.46 69.89 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.489 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.2 mm -63.7 -45.47 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.313 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.32 -29.06 60.8 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.787 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.432 ' O ' ' NH1' ' A' ' 58' ' ' ARG . 76.0 m-20 -83.88 -32.57 25.12 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.11 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -78.98 -33.95 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.329 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -61.37 -59.14 5.73 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.092 0.245 . . . . 0.0 111.46 -177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -59.79 -57.24 13.74 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 123.555 0.534 . . . . 0.0 109.911 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.802 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -44.14 -56.78 3.81 Favored 'General case' 0 C--O 1.199 -1.557 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.86 -175.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 21.4 tp -68.99 -59.48 3.01 Favored 'General case' 0 CA--C 1.548 0.871 0 O-C-N 124.471 1.107 . . . . 0.0 111.21 178.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.54 -59.53 3.43 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 121.424 0.63 . . . . 0.0 110.883 -175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -78.27 27.21 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.315 -1.312 . . . . 0.0 109.406 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.802 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -110.47 -56.74 2.31 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 117.846 -1.073 . . . . 0.0 111.696 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 6.45 48.33 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.748 0 O-C-N 126.031 2.082 . . . . 0.0 110.653 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.7 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.38 -51.4 67.72 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.331 -173.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -83.96 -15.3 48.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.855 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 54.2 56.2 7.28 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 120.85 0.357 . . . . 0.0 110.771 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -104.12 -16.87 15.12 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.838 0.455 . . . . 0.0 110.166 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 65.29 9.53 5.73 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.718 0.636 . . . . 0.0 112.071 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.561 ' ND1' ' C ' ' A' ' 45' ' ' HIS . 0.1 OUTLIER -120.29 174.85 6.26 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.172 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.0 mt -122.89 99.67 6.51 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.937 0.773 . . . . 0.0 111.932 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -99.5 137.88 37.37 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 176.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -43.88 -47.29 8.29 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -177.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -53.48 -55.1 28.16 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.305 -178.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.56 -51.58 68.82 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.442 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.541 ' HE1' HG23 ' A' ' 65' ' ' ILE . 30.6 t-105 -59.83 -60.08 4.41 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.595 0.236 . . . . 0.0 111.049 -178.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 59.3 ttp180 -53.08 -53.66 46.95 Favored 'General case' 0 C--O 1.207 -1.162 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.064 -176.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -63.79 -45.3 90.32 Favored 'General case' 0 C--O 1.244 0.793 0 O-C-N 123.677 0.611 . . . . 0.0 112.307 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -60.41 -51.11 70.89 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.91 0.386 . . . . 0.0 110.988 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.11 -24.22 51.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.177 -176.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 39.6 ttpt -60.64 -48.25 82.62 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 123.499 0.499 . . . . 0.0 112.096 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 30.5 p -62.92 -8.08 6.42 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.192 0.307 . . . . 0.0 111.413 -177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 30' ' ' ASP . 4.0 tpt180 -85.64 24.48 1.21 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.362 0.413 . . . . 0.0 111.647 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.14 10.23 84.09 Favored Glycine 0 N--CA 1.467 0.715 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -100.13 149.72 23.23 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.17 170.48 13.74 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.473 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.19 -36.57 54.81 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.2 -43.98 27.04 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -56.89 -42.39 79.76 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -176.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.541 HG23 ' HE1' ' A' ' 51' ' ' TRP . 95.7 mt -59.72 -23.52 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.624 -179.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -64.57 -42.45 95.64 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 123.305 0.378 . . . . 0.0 110.548 -178.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.82 -49.78 74.94 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.947 0.403 . . . . 0.0 111.099 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.13 -41.42 84.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.237 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -74.22 -61.44 1.86 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.297 -177.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.1 -29.76 0.08 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 123.134 0.574 . . . . 0.0 112.032 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -56.51 -10.3 0.93 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.007 177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -112.17 -6.73 14.1 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.111 0.564 . . . . 0.0 111.787 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -89.11 59.46 4.96 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.3 m -53.46 -43.63 53.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.361 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -73.72 -14.72 61.18 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.4 23.83 70.42 Favored Glycine 0 C--N 1.348 1.197 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.9 p30 -90.23 -14.4 33.47 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-O 119.472 -0.299 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 72.39 5.67 5.32 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 124.067 0.854 . . . . 0.0 111.264 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.25 127.62 20.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.22 135.16 30.45 Favored 'General case' 0 C--O 1.242 0.674 0 C-N-CA 123.746 0.818 . . . . 0.0 108.95 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -103.04 -168.18 1.48 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.809 0.844 . . . . 0.0 109.22 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.78 -17.09 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -67.62 -61.62 1.8 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 -178.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -86.5 -21.83 26.74 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.466 0.706 . . . . 0.0 111.143 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -58.88 -33.75 70.85 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.007 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 39.1 ttm -59.44 -47.78 84.16 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -58.59 -38.61 78.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.596 -178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.5 ttt -67.09 -57.07 7.49 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.367 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.88 -34.1 65.2 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 120.839 0.352 . . . . 0.0 110.861 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -61.93 -50.96 70.05 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.035 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -63.29 -36.68 84.48 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.15 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.67 -27.38 65.93 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.649 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -78.05 -49.21 14.43 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.831 0.348 . . . . 0.0 110.178 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.08 -17.74 66.03 Favored Glycine 0 N--CA 1.469 0.838 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.3 tp60 -59.61 -39.81 85.48 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.96 0.409 . . . . 0.0 110.599 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -57.54 -53.22 60.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.761 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 96.6 p -55.66 -42.91 75.75 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.409 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.31 -49.3 77.57 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.562 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 29.4 mt -62.86 -42.1 99.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.039 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -53.62 -50.85 64.8 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.707 -179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.438 ' H ' HD22 ' A' ' 101' ' ' ASN . 3.0 m-80 -71.02 -39.47 72.33 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.122 178.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.91 -52.34 63.45 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 120.789 0.328 . . . . 0.0 111.03 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.32 5.14 4.83 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.252 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -105.21 37.95 2.06 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -142.36 147.5 36.38 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 44.9 mt 54.76 -179.53 0.03 OUTLIER 'General case' 0 C--N 1.346 0.417 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.422 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 CA--C 1.545 0.765 0 CA-C-O 117.828 -1.082 . . . . 0.0 111.173 179.387 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 108.787 -1.725 . . . . 0.0 108.787 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.98 -90.2 0.08 OUTLIER Glycine 0 CA--C 1.521 0.42 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.0 mm? -76.49 111.71 12.25 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 122.196 0.998 . . . . 0.0 109.466 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.522 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 8.8 t -86.08 -40.07 0.58 Allowed Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 114.172 -1.377 . . . . 0.0 108.82 177.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 15' ' ' VAL . 77.2 Cg_exo -53.59 -29.72 51.64 Favored 'Trans proline' 0 N--CA 1.512 2.585 0 C-N-CA 121.855 1.703 . . . . 0.0 112.186 -178.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -59.93 -45.48 92.46 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.601 -178.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.15 -84.27 0.14 Allowed Glycine 0 N--CA 1.465 0.608 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.9 m -162.15 140.09 8.75 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -166.82 -54.84 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 68.0 mtt -65.17 -32.4 74.07 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.289 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.23 -32.02 46.19 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.39 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 38.2 t -66.03 -43.35 87.86 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.701 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -65.27 -41.91 93.72 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.774 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.486 HH12 ' CD1' ' A' ' 106' ' ' LEU . 78.1 ttt180 -64.08 -44.73 91.5 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.032 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -68.22 -25.83 65.4 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.966 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -61.14 -48.7 80.4 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.854 -179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.4 mm -64.21 -45.49 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.933 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.75 -53.95 51.83 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.89 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -57.51 -31.57 66.16 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.929 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.3 mt -82.38 -31.67 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.835 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -62.32 -58.65 6.92 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.949 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -63.49 -57.29 10.69 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.46 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.725 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.2 -56.24 3.55 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 119.101 -0.475 . . . . 0.0 110.452 -175.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.6 tp -68.47 -58.99 3.5 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 123.775 0.672 . . . . 0.0 111.021 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.92 -58.86 3.85 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.357 0.599 . . . . 0.0 111.015 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.485 ' ND1' ' N ' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -76.68 24.44 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.601 -1.182 . . . . 0.0 110.048 179.109 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -112.83 -55.5 2.52 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.263 178.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' ALA . 65.8 m-20 15.29 49.86 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 124.903 1.377 . . . . 0.0 109.909 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -56.47 -52.82 63.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.957 -174.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.8 p-10 -73.23 -13.93 61.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.27 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 44.85 55.3 6.13 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-O 121.052 0.453 . . . . 0.0 110.628 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -119.71 -4.32 10.25 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.004 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 66.7 8.21 5.75 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.622 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -121.08 170.66 9.32 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tp -124.82 101.77 7.24 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 124.076 0.86 . . . . 0.0 111.118 -177.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -98.26 136.83 37.89 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -40.76 -45.96 2.56 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.725 0.64 . . . . 0.0 112.194 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -53.78 -55.11 29.32 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.714 0.634 . . . . 0.0 110.974 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -58.58 -53.29 60.0 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.875 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.5 ' HE1' ' CG2' ' A' ' 65' ' ' ILE . 26.0 t-105 -58.85 -59.68 5.05 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.869 0.366 . . . . 0.0 110.671 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.55 ' NH1' HE21 ' A' ' 53' ' ' GLN . 43.2 ttt-85 -49.08 -55.32 12.54 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.849 -177.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.55 HE21 ' NH1' ' A' ' 52' ' ' ARG . 46.8 mm-40 -64.41 -42.59 95.97 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.965 0.791 . . . . 0.0 111.59 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -60.18 -55.18 36.98 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.09 -176.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -27.75 64.23 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.778 -175.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -58.34 -50.53 73.31 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.1 p -55.74 -11.55 1.0 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.008 0.432 . . . . 0.0 112.135 -176.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -84.45 23.15 1.15 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.236 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.2 24.3 61.65 Favored Glycine 0 CA--C 1.524 0.614 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.749 178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -107.59 154.69 21.05 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.1 171.19 9.43 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.485 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 29.6 t0 -76.23 -32.16 58.76 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.023 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.03 -44.07 27.56 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.879 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.92 -36.98 78.18 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.162 0.506 . . . . 0.0 110.823 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.5 ' CG2' ' HE1' ' A' ' 51' ' ' TRP . 97.5 mt -71.97 -38.41 64.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.326 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -55.3 -39.83 70.36 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.693 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.45 -46.3 89.14 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.773 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.8 t -61.84 -50.99 77.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.703 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -62.45 -54.71 36.11 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 123.272 0.357 . . . . 0.0 110.078 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.94 -43.12 2.02 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.277 0.56 . . . . 0.0 110.352 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -49.69 -12.44 0.07 Allowed 'General case' 0 CA--C 1.561 1.371 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -115.86 -0.1 12.97 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.627 0.771 . . . . 0.0 111.717 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -84.79 57.7 4.54 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.553 0.216 . . . . 0.0 110.576 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 75' ' ' ASP . 29.2 m -46.54 -47.29 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 110.458 -0.201 . . . . 0.0 110.458 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 74' ' ' VAL . 7.3 p30 -115.17 -16.0 11.6 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.68 35.89 76.08 Favored Glycine 0 C--N 1.341 0.817 0 N-CA-C 111.623 -0.591 . . . . 0.0 111.623 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -69.21 -1.29 7.57 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 72.53 26.4 2.53 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.283 0.633 . . . . 0.0 111.542 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 79' ' ' VAL . 14.7 p -147.04 118.97 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.677 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 177.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 tp -72.81 140.67 47.82 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.96 151.66 31.49 Favored 'General case' 0 C--O 1.241 0.613 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.57 85.62 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.357 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -74.1 -32.91 63.42 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.318 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -56.56 -38.46 71.96 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -59.78 -41.85 92.03 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.686 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.8 ttt -59.99 -50.97 71.66 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.84 -43.39 81.07 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.948 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 91' ' ' ASP . 35.6 ttm -58.45 -62.44 1.85 Allowed 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.96 -44.68 7.35 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 121.196 0.522 . . . . 0.0 111.202 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -65.31 -36.47 84.15 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.809 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' MET . 22.1 t70 -61.06 -49.2 78.32 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.077 0.465 . . . . 0.0 110.243 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.2 mp -53.22 -57.92 8.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.513 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -66.62 -48.91 68.0 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 121.271 0.557 . . . . 0.0 109.938 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -47.3 -40.08 14.49 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.895 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -82.71 -35.08 27.03 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.617 0.367 . . . . 0.0 110.08 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.93 -40.8 73.66 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 120.939 0.4 . . . . 0.0 110.163 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.0 t -62.01 -41.7 98.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.666 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.83 -43.19 98.6 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.408 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mp -67.66 -43.07 81.12 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.757 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -53.2 -47.34 69.0 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.565 0.221 . . . . 0.0 110.595 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.563 ' H ' HD22 ' A' ' 101' ' ' ASN . 1.6 m-80 -69.37 -50.9 41.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.717 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -53.12 -47.46 68.64 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.221 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.489 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 1.9 tt -58.26 -63.63 1.2 Allowed 'General case' 0 C--N 1.347 0.494 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -178.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 103' ' ' LEU . . . 83.24 -166.67 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.711 0.632 . . . . 0.0 109.606 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 44.46 70.58 0.32 Allowed 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.82 0.7 . . . . 0.0 110.617 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.486 ' CD1' HH12 ' A' ' 25' ' ' ARG . 3.1 tp -139.47 4.82 2.2 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.776 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 . . . . . 0 CA--C 1.542 0.664 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.064 179.719 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.69 -82.19 0.06 OUTLIER Glycine 0 N--CA 1.466 0.676 0 N-CA-C 110.087 -1.205 . . . . 0.0 110.087 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 tp 54.92 88.22 0.04 OUTLIER 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.717 -0.241 . . . . 0.0 110.436 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.9 t -140.21 77.11 25.48 Favored Pre-proline 0 N--CA 1.467 0.381 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -52.23 -37.51 70.35 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.242 1.962 . . . . 0.0 111.971 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -64.42 -24.82 67.76 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.564 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.58 -132.96 0.07 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.2 m 51.42 44.66 28.84 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.092 0.472 . . . . 0.0 110.665 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -60.67 -36.33 78.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.531 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.2 mmt -61.81 -61.36 2.56 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.587 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.64 75.65 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.729 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.7 p -55.9 -41.81 75.07 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.059 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -57.39 -45.78 84.13 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.355 0.597 . . . . 0.0 110.677 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -64.98 -38.91 92.53 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.316 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.4 -40.11 95.43 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.276 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HZ2' ' CD2' ' A' ' 60' ' ' HIS . 63.1 mmtt -60.42 -49.52 77.26 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.687 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.9 mt -60.9 -49.41 84.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.58 -33.97 64.37 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -85.52 -33.95 21.66 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.122 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.0 mt -80.67 -39.15 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.09 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -59.68 -56.38 22.53 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.111 -177.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -62.4 -56.6 16.73 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.338 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.756 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -44.59 -53.72 6.84 Favored 'General case' 0 C--O 1.209 -1.054 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.037 -176.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 5.1 tp -69.77 -59.08 3.17 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.189 0.931 . . . . 0.0 111.299 178.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.35 -57.59 5.81 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 121.586 0.707 . . . . 0.0 110.229 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.406 ' ND1' ' O ' ' A' ' 37' ' ' HIS . 0.7 OUTLIER -76.26 25.47 0.13 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.527 -1.215 . . . . 0.0 110.085 178.103 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -112.95 -55.45 2.52 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 118.322 -0.847 . . . . 0.0 111.767 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 38' ' ' ALA . 17.2 p-10 6.16 49.5 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 O-C-N 125.601 1.813 . . . . 0.0 110.557 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -60.68 -52.0 66.98 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.433 -174.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -83.74 -15.09 49.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.536 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 56.9 55.16 6.4 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.014 0.435 . . . . 0.0 110.868 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.406 ' CG ' ' ND1' ' A' ' 45' ' ' HIS . 2.0 p30 -104.23 -20.31 13.83 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.778 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 66.98 8.98 6.53 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.183 0.302 . . . . 0.0 111.03 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.406 ' ND1' ' CG ' ' A' ' 43' ' ' ASP . 0.6 OUTLIER -121.73 171.67 8.7 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.4 mt -126.52 104.28 8.05 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.207 0.942 . . . . 0.0 112.377 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -102.82 142.16 34.41 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -42.17 -48.59 4.84 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.786 0.661 . . . . 0.0 112.786 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -50.75 -56.12 13.5 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.903 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.23 -52.27 62.87 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.013 -179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 51.6 t-105 -58.41 -60.35 3.93 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.434 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 3.7 tmt_? -53.3 -51.7 61.47 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.609 -178.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.47 -45.31 87.95 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -59.33 -52.44 65.62 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.692 -177.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.01 -24.69 55.28 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.571 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 63.3 tttm -59.14 -48.22 82.41 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.501 -0.479 . . . . 0.0 111.614 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.39 -8.96 10.23 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.206 -177.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.7 tpm_? -81.65 23.93 0.62 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.03 10.95 82.11 Favored Glycine 0 N--CA 1.467 0.718 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.454 ' ND1' ' N ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -99.06 148.25 24.23 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.71 173.6 11.76 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -77.95 -41.06 37.48 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.096 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.73 -46.24 19.4 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -54.22 -45.26 72.22 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.097 0.475 . . . . 0.0 112.023 -176.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.4 tt -63.96 -22.51 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.486 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.468 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.9 -41.84 78.81 Favored 'General case' 0 C--O 1.222 -0.372 0 O-C-N 123.354 0.409 . . . . 0.0 110.809 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.35 -39.67 81.79 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.784 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.07 -45.08 80.56 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.178 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -72.91 -61.22 1.89 Allowed 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.239 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.18 -29.18 0.07 Allowed 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 122.76 0.424 . . . . 0.0 111.651 -176.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -55.87 -10.89 0.85 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.872 178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -109.18 -5.07 16.08 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.669 -179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.55 56.63 1.55 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 75' ' ' ASP . 34.6 m -54.44 -43.94 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.427 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.41 ' N ' HG23 ' A' ' 74' ' ' VAL . 65.3 m-20 -76.24 -14.67 60.13 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.979 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.43 9.32 42.94 Favored Glycine 0 C--N 1.343 0.952 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -75.52 -5.64 46.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 119.129 -0.462 . . . . 0.0 110.464 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 60.73 27.14 16.9 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.651 0.595 . . . . 0.0 111.638 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.537 ' C ' HD23 ' A' ' 80' ' ' LEU . 89.7 t -146.23 121.07 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 120.985 0.422 . . . . 0.0 110.197 179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.593 HD23 ' N ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -139.98 109.66 6.32 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.126 179.819 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -99.23 -167.62 1.5 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -46.71 -16.84 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.129 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -65.85 -60.68 2.63 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.076 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -85.24 -21.93 28.87 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -56.27 -33.42 65.46 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.039 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 41.0 ttp -59.84 -46.5 89.05 Favored 'General case' 0 C--N 1.343 0.297 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -53.93 -43.0 69.43 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.484 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 40.8 ttp -65.12 -58.28 6.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.696 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.77 81.68 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.428 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -62.22 -36.47 82.08 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.736 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -86.56 -38.33 17.28 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.977 0.417 . . . . 0.0 110.158 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.07 -44.81 96.82 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.715 -176.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.52 -37.81 85.08 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.673 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.46 -45.53 77.61 Favored Glycine 0 C--N 1.343 0.919 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -54.8 -41.17 70.27 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -59.83 -49.64 76.91 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.2 m -63.92 -42.2 97.46 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -62.9 -38.47 91.07 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.593 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.09 -41.61 81.59 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -56.84 -43.55 81.21 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.739 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -71.22 -49.33 44.59 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.394 178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -48.69 -42.26 34.28 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.195 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.7 tp -99.85 -2.78 34.05 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.642 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 52.69 -176.47 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.0 0.428 . . . . 0.0 110.497 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 20.7 mp0 -66.63 -91.88 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.0 tp 56.89 -140.41 0.85 Allowed 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.031 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.218 -0.587 0 CA-C-O 118.149 -0.929 . . . . 0.0 109.536 178.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.134 0 N-CA-C 109.251 -1.54 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.02 -66.6 2.38 Favored Glycine 0 N--CA 1.465 0.625 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.2 mt 53.54 57.32 6.25 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.178 0.513 . . . . 0.0 111.207 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 15' ' ' VAL . 11.9 p -164.46 55.61 0.44 Allowed Pre-proline 0 CA--C 1.549 0.904 0 CA-C-O 122.522 1.153 . . . . 0.0 109.756 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -70.28 -16.65 35.43 Favored 'Trans proline' 0 C--N 1.296 -2.215 0 C-N-CA 121.403 1.402 . . . . 0.0 111.877 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -67.38 171.73 5.66 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.19 106.6 0.06 OUTLIER Glycine 0 N--CA 1.461 0.36 0 N-CA-C 110.078 -1.209 . . . . 0.0 110.078 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.1 m 53.05 40.75 31.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.21 0.529 . . . . 0.0 110.8 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -64.7 -36.42 84.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.357 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -58.93 -33.68 70.86 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.323 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.46 -40.43 37.01 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.366 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.0 t -55.06 -41.13 71.09 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.676 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -63.53 -39.15 93.67 Favored 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.259 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HA ' ' NE ' ' A' ' 25' ' ' ARG . 16.0 mmp_? -66.0 -40.63 91.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.913 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.66 -45.41 65.14 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.775 -178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -52.83 -56.9 12.41 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.482 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 77.9 mt -56.9 -51.7 64.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.376 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.71 -30.77 61.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.402 0.439 . . . . 0.0 110.012 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -86.36 -32.51 20.94 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.2 mt -84.57 -38.43 13.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 O-C-N 123.63 0.581 . . . . 0.0 111.395 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -54.04 -57.5 10.8 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.753 0.658 . . . . 0.0 110.992 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.68 -54.69 35.51 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.762 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.794 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -40.18 -58.68 1.42 Allowed 'General case' 0 C--O 1.196 -1.734 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.943 -176.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.54 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 43.1 tp -67.72 -60.72 2.31 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 123.902 0.751 . . . . 0.0 111.958 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.06 -56.18 5.93 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 122.168 0.985 . . . . 0.0 109.31 -179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -78.09 27.55 0.19 Allowed 'General case' 0 C--O 1.241 0.649 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.915 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.794 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -117.46 -55.42 2.31 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-O 117.848 -1.072 . . . . 0.0 111.797 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.525 ' C ' ' O ' ' A' ' 38' ' ' ALA . 68.3 m-20 4.91 52.93 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 124.904 1.378 . . . . 0.0 110.916 -176.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.742 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.46 -52.41 65.71 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.158 -175.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -78.2 -14.94 59.25 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.212 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 50.62 56.33 8.13 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 123.706 0.629 . . . . 0.0 110.986 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -106.5 -11.02 16.04 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.163 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 65.86 6.26 3.88 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.26 0.35 . . . . 0.0 111.178 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -121.43 134.4 55.09 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 46' ' ' LEU . 10.0 mp -86.98 107.93 18.61 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.452 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -103.95 135.56 45.24 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 125.171 1.544 . . . . 0.0 107.697 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' ARG . 43.8 t80 -38.81 -47.35 1.39 Allowed 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -45.38 -57.94 3.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 123.65 0.594 . . . . 0.0 112.026 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -54.0 -46.12 71.68 Favored 'General case' 0 C--O 1.207 -1.164 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.391 178.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.416 ' CE2' HD22 ' A' ' 55' ' ' LEU . 46.6 t-105 -70.94 -19.76 62.53 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' PHE . 18.2 ttm180 -81.69 -63.24 1.43 Allowed 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -70.15 -38.57 75.51 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -176.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -57.86 -55.4 35.41 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 124.078 0.861 . . . . 0.0 112.819 -176.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 55' ' ' LEU . 10.9 mp -71.93 -32.64 67.53 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.605 -177.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -54.47 -47.28 73.14 Favored 'General case' 0 C--N 1.312 -1.03 0 O-C-N 123.687 0.617 . . . . 0.0 112.089 -176.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 75.5 m -63.32 -10.25 15.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.135 -178.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -84.98 22.03 1.48 Allowed 'General case' 0 C--O 1.243 0.717 0 O-C-N 123.749 0.656 . . . . 0.0 111.375 -179.117 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.86 8.25 84.54 Favored Glycine 0 N--CA 1.461 0.327 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -101.01 152.45 20.56 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.16 173.86 9.53 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.792 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -78.38 -32.97 49.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.259 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.7 -44.92 22.45 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.32 -42.88 78.36 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -176.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.1 pt -63.51 -21.7 29.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.696 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.18 -40.91 82.15 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.667 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.49 -51.46 69.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.586 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.17 -28.78 42.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -81.12 -63.03 1.49 Allowed 'General case' 0 CA--C 1.504 -0.792 0 O-C-N 123.496 0.498 . . . . 0.0 110.23 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.06 -32.59 0.1 Allowed 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -176.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -52.95 -11.03 0.2 Allowed 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -109.03 -8.33 15.21 Favored 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 124.188 0.93 . . . . 0.0 112.095 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -89.72 59.44 4.66 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.535 HG13 ' N ' ' A' ' 75' ' ' ASP . 15.0 p -52.9 -46.24 52.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.264 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.535 ' N ' HG13 ' A' ' 74' ' ' VAL . 16.3 p30 -80.36 -14.77 58.07 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.99 12.11 70.92 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -81.19 -15.08 56.78 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.304 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 67.64 31.48 6.04 Favored 'General case' 0 C--O 1.243 0.727 0 O-C-N 124.33 1.019 . . . . 0.0 112.042 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -137.01 119.11 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mp -134.62 102.82 5.43 Favored 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 123.828 0.705 . . . . 0.0 111.537 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 26.2 t70 -100.51 -167.46 1.44 Allowed 'General case' 0 CA--C 1.507 -0.698 0 O-C-N 124.074 0.859 . . . . 0.0 108.993 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.508 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -44.91 -18.42 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 O-C-N 123.146 0.279 . . . . 0.0 111.427 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 81' ' ' ASP . 0.8 OUTLIER -68.27 -62.49 1.37 Allowed 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.024 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -87.32 -23.02 24.76 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.47 0.481 . . . . 0.0 111.119 178.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.87 -42.44 99.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.97 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 13.9 mmt -56.28 -45.59 80.07 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.156 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.12 -39.09 85.05 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.623 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.1 ttp -66.25 -59.39 3.78 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.407 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.09 -32.35 54.61 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.817 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -64.3 -45.8 86.37 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.376 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -65.85 -35.24 80.12 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.704 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.18 -33.35 74.29 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.676 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -73.13 -44.16 60.59 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 124.044 0.84 . . . . 0.0 110.506 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.77 -50.21 43.65 Favored Glycine 0 N--CA 1.465 0.594 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -54.44 -38.11 65.93 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.644 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -64.16 -42.76 96.61 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 65.6 m -67.0 -32.15 73.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.107 -178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -64.78 -18.8 65.4 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.745 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.99 -38.51 91.45 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.011 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -55.42 -52.47 63.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.731 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -69.87 -43.91 70.86 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -61.13 -52.32 65.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.96 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.96 0.19 48.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.879 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 39.7 -114.46 0.17 Allowed 'General case' 0 N--CA 1.472 0.644 0 O-C-N 123.663 0.602 . . . . 0.0 110.374 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -129.3 -70.47 0.66 Allowed 'General case' 0 CA--C 1.502 -0.878 0 O-C-N 123.658 0.599 . . . . 0.0 110.791 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 106' ' ' LEU . 4.3 mm? 54.67 178.95 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.758 0 O-C-N 123.311 0.382 . . . . 0.0 111.538 -178.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 . . . . . 0 C--O 1.215 -0.76 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.479 179.331 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.97 97.48 0.11 Allowed Glycine 0 N--CA 1.467 0.705 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 ' H ' ' H ' ' A' ' 15' ' ' VAL . 5.5 tp -162.97 -14.8 0.03 OUTLIER 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 120.794 0.33 . . . . 0.0 110.233 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.444 ' H ' ' H ' ' A' ' 14' ' ' LEU . 29.5 m -53.41 151.01 10.92 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.873 -178.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -49.74 -175.95 0.01 OUTLIER 'Trans proline' 0 N--CA 1.506 2.252 0 C-N-CA 121.886 1.724 . . . . 0.0 111.699 176.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -59.85 -13.47 10.8 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.76 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.09 62.37 3.79 Favored Glycine 0 N--CA 1.467 0.705 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.1 m -161.67 -26.53 0.05 Allowed 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -64.07 -21.55 66.57 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.431 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 62.7 mtt -60.88 -34.25 74.34 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.014 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.85 -37.6 14.29 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.952 0.406 . . . . 0.0 110.448 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -59.82 -41.73 91.94 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.385 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.72 -41.01 97.06 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 116.299 -0.409 . . . . 0.0 109.991 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -60.95 -48.66 80.81 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.936 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -34.92 76.84 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.223 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -53.68 -58.24 7.92 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.353 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.6 mt -63.1 -44.73 99.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.167 -179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.87 -32.45 53.22 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.861 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -84.62 -38.62 19.65 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.648 -179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.2 -41.09 81.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.035 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -59.4 -59.59 5.2 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.894 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -60.62 -57.6 12.03 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 123.394 0.434 . . . . 0.0 110.468 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.714 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.4 -60.05 1.88 Allowed 'General case' 0 C--O 1.209 -1.053 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.279 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 38.3 tp -67.2 -59.59 3.31 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 124.16 0.913 . . . . 0.0 111.565 178.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.24 -58.27 5.32 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.705 0.764 . . . . 0.0 109.771 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -76.15 23.44 0.14 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 114.409 -1.269 . . . . 0.0 109.506 177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.754 ' O ' ' N ' ' A' ' 40' ' ' ALA . . . -106.88 -56.8 2.15 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.835 179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 7.68 43.71 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.601 0 O-C-N 125.62 1.825 . . . . 0.0 111.175 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.754 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -62.78 -52.97 61.13 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.519 -174.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -82.72 -16.94 46.11 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.915 -179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 46.98 57.88 5.28 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.622 0.249 . . . . 0.0 111.178 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -106.0 -9.26 17.14 Favored 'General case' 0 N--CA 1.49 1.535 0 C-N-CA 122.657 0.383 . . . . 0.0 110.702 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 64.06 5.34 2.38 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.868 0.867 . . . . 0.0 111.287 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.432 ' C ' HD22 ' A' ' 46' ' ' LEU . 61.3 m80 -127.03 137.02 52.99 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 179.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.432 HD22 ' C ' ' A' ' 45' ' ' HIS . 4.5 mm? -115.68 84.05 2.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.584 0.707 . . . . 0.0 111.495 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.18 156.89 23.91 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -46.4 -43.47 16.35 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 123.738 0.649 . . . . 0.0 112.195 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -54.06 -55.52 26.69 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.847 0.356 . . . . 0.0 111.254 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -57.26 -47.75 80.62 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.26 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -60.8 -56.93 15.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.149 0.5 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -50.78 -53.87 28.26 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.547 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.93 -42.21 94.88 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 123.794 0.684 . . . . 0.0 112.304 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -60.92 -56.06 25.6 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.221 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mp -72.31 -27.93 62.76 Favored 'General case' 0 C--O 1.213 -0.817 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.468 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -54.74 -49.53 70.59 Favored 'General case' 0 C--N 1.307 -1.251 0 O-C-N 121.856 -0.528 . . . . 0.0 112.285 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.585 ' C ' ' HE ' ' A' ' 58' ' ' ARG . 49.2 t -58.38 -8.59 1.22 Allowed 'General case' 0 CA--C 1.538 0.484 0 O-C-N 123.598 0.561 . . . . 0.0 112.119 -178.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.585 ' HE ' ' C ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -87.41 15.95 5.95 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 110.189 -0.301 . . . . 0.0 110.189 -179.302 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.12 15.99 73.21 Favored Glycine 0 N--CA 1.468 0.785 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -101.92 145.48 29.18 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.76 -0.829 . . . . 0.0 108.76 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.17 159.63 15.2 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.616 ' O ' HG22 ' A' ' 65' ' ' ILE . 15.4 p-10 -68.53 -22.61 64.5 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.193 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.03 -47.44 28.99 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-O 121.401 0.62 . . . . 0.0 110.66 -179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -69.51 -24.98 63.83 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.197 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 62' ' ' ASP . 3.2 tp -51.63 -25.42 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-O 121.555 0.693 . . . . 0.0 111.696 -178.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -65.2 -29.81 70.65 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.918 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.46 -54.34 17.6 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.66 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.8 m -65.47 -23.95 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.558 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -65.56 0.66 Allowed 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 120.971 0.415 . . . . 0.0 110.868 -177.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.74 -17.01 1.95 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.49 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -53.47 -57.38 10.87 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.285 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 74' ' ' VAL . 70.7 m-85 -102.83 -42.85 5.72 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -61.98 66.68 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.083 0.865 . . . . 0.0 110.762 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 72' ' ' TYR . 7.2 p -71.79 -10.55 14.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.381 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -70.03 -14.34 62.64 Favored 'General case' 0 C--N 1.341 0.235 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.0 3.44 6.14 Favored Glycine 0 C--N 1.346 1.084 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 42.7 p30 -86.18 -0.63 56.16 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 122.682 0.393 . . . . 0.0 110.167 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 56.48 19.04 3.85 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.64 0.587 . . . . 0.0 110.455 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.7 t -146.03 150.48 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-O 122.004 0.907 . . . . 0.0 109.43 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.52 140.89 33.57 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -81.13 -172.99 4.05 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.207 0.527 . . . . 0.0 110.114 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.01 -35.9 74.04 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.926 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -71.55 -57.58 4.28 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.047 -178.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -51.18 -29.34 13.58 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -66.84 -45.71 77.36 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.61 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 39.8 ttm -52.69 -45.98 67.09 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.728 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.34 -36.0 82.71 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.337 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.1 ttt -60.5 -59.66 5.05 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.062 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.98 -39.09 65.72 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.811 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.5 m80 -60.31 -48.56 81.23 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.989 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -59.94 -35.2 74.42 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.842 0.353 . . . . 0.0 110.959 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.7 -41.85 82.92 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.585 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -61.72 -40.11 93.91 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.43 -49.81 48.64 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -45.59 -37.57 5.67 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.375 0.607 . . . . 0.0 110.451 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -60.42 -44.62 95.58 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.286 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.9 t -62.59 -40.81 98.07 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.412 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -64.73 -38.63 91.66 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.715 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.0 mt -65.46 -42.86 91.86 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -50.24 -38.26 39.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -68.84 -47.98 64.64 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.651 178.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -52.37 -46.61 66.24 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 120.903 0.382 . . . . 0.0 110.285 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.68 -0.67 16.2 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.721 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 51.65 -133.83 1.72 Allowed 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -119.33 -65.65 1.15 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.3 tp 67.9 148.77 0.06 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.147 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 . . . . . 0 N--CA 1.47 0.572 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.839 179.265 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.65 9.69 27.04 Favored Glycine 0 N--CA 1.468 0.818 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.4 mt 52.59 29.5 7.32 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-O 121.336 0.589 . . . . 0.0 111.238 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.538 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 17.7 t -77.73 -39.71 1.96 Allowed Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.04 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 15' ' ' VAL . 66.1 Cg_exo -54.73 -31.07 69.88 Favored 'Trans proline' 0 N--CA 1.501 1.938 0 C-N-CA 121.905 1.737 . . . . 0.0 112.057 -178.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -61.69 -37.43 84.1 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.306 -178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.86 -171.28 0.24 Allowed Glycine 0 C--N 1.339 0.72 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 93.6 p -160.03 158.72 31.02 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.42 ' ND1' ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -101.22 99.17 9.52 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 -179.064 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 55.1 mtt -67.09 -31.33 71.75 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.177 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.58 -52.52 65.31 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.539 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.3 p -65.4 -43.96 88.99 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.299 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -61.22 -44.15 97.73 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.978 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -69.85 -45.18 68.35 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.231 0.539 . . . . 0.0 109.921 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -67.47 -16.32 64.15 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.438 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -54.19 -27.91 37.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.324 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.04 -24.49 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.805 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.93 -33.24 23.54 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.376 0.422 . . . . 0.0 110.98 -178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -85.11 -33.4 22.4 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.424 HG12 HD21 ' A' ' 55' ' ' LEU . 32.8 mt -72.01 -40.85 68.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.777 -178.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -56.12 -58.57 7.36 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.67 -176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -60.32 -54.16 49.05 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.964 -179.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.741 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.03 -60.37 1.66 Allowed 'General case' 0 C--O 1.203 -1.393 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.077 -174.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.402 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 35.1 tp -66.94 -58.17 5.49 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.947 0.779 . . . . 0.0 111.962 178.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.19 -59.05 3.43 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.355 0.598 . . . . 0.0 110.187 -176.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -79.94 22.97 0.47 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.613 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -104.11 -53.8 2.67 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 118.944 -0.551 . . . . 0.0 111.254 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 46.4 p-10 -37.0 68.06 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 125.001 1.438 . . . . 0.0 112.314 -176.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.723 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -82.88 -29.92 28.96 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.084 177.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -92.74 -17.23 24.46 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 123.859 0.724 . . . . 0.0 111.726 -176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 61.97 55.69 2.49 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -91.16 -23.89 20.12 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 61.72 4.42 1.07 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.437 1.095 . . . . 0.0 112.046 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.499 ' C ' HD22 ' A' ' 46' ' ' LEU . 8.5 t-80 -129.41 134.58 47.92 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 106.02 -1.844 . . . . 0.0 106.02 178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.499 HD22 ' C ' ' A' ' 45' ' ' HIS . 4.5 mm? -113.82 104.33 12.08 Favored 'General case' 0 CA--C 1.508 -0.648 0 O-C-N 124.214 0.946 . . . . 0.0 110.762 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -79.77 158.01 26.96 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 176.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -48.98 -44.21 40.75 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -52.61 -55.74 20.25 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.191 0.519 . . . . 0.0 111.209 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.5 tp10 -54.41 -43.19 71.27 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.279 -179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.426 ' CZ2' HD12 ' A' ' 55' ' ' LEU . 60.8 t-105 -63.4 -55.42 24.54 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.816 -178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.549 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 53.4 ttp180 -50.32 -52.88 32.98 Favored 'General case' 0 C--O 1.203 -1.392 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.964 -178.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -65.23 -42.83 93.03 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -59.88 -54.68 43.28 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.913 -178.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.488 HD22 ' CG ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -73.45 -31.94 64.08 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.621 -177.108 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.549 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 40.6 ttpt -53.34 -46.09 69.35 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -177.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.7 t -59.24 -6.64 0.98 Allowed 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -95.02 9.49 39.26 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 122.862 0.465 . . . . 0.0 111.018 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 94.35 -18.69 56.44 Favored Glycine 0 N--CA 1.468 0.827 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.488 ' CG ' HD22 ' A' ' 55' ' ' LEU . 2.0 m80 -64.44 136.02 56.67 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.42 159.68 15.14 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -56.79 -21.81 31.46 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -79.71 -44.8 20.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.463 -0.789 . . . . 0.0 113.066 178.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -66.21 -37.83 86.5 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 41.8 pt -59.02 -23.79 25.21 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 120.554 0.216 . . . . 0.0 111.397 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -59.13 -20.93 58.03 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.897 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.66 -39.92 23.65 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.019 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.7 t -64.82 -26.64 40.62 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.017 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -61.2 -65.38 0.7 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.394 0.616 . . . . 0.0 110.644 -178.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.41 -17.98 0.91 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.453 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -54.47 -57.62 10.62 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.212 -177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 74' ' ' VAL . 78.9 m-85 -111.49 -41.36 4.12 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -61.77 62.36 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 O-C-N 124.374 1.046 . . . . 0.0 110.281 -177.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' TYR . 65.6 t -74.2 -12.88 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 77' ' ' ASP . 65.3 m-20 -70.15 -13.57 62.26 Favored 'General case' 0 N--CA 1.461 0.106 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.37 2.62 4.38 Favored Glycine 0 C--N 1.345 1.062 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 75' ' ' ASP . 26.9 t0 -80.05 -3.18 47.46 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.938 0.399 . . . . 0.0 110.274 -179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 58.52 19.31 6.47 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.176 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 76.2 t -147.19 153.62 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -142.05 141.11 32.76 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.662 -1.153 . . . . 0.0 107.935 -179.823 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -85.12 -172.58 4.25 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.485 0.659 . . . . 0.0 110.42 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.55 78.02 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.75 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.35 -54.11 19.55 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.332 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -56.09 -27.99 55.91 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.892 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -68.87 -47.14 66.64 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.762 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.7 tpt -53.29 -44.14 68.06 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.086 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.3 tmmt? -69.26 -36.26 76.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.563 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.96 -62.27 1.98 Allowed 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.917 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.9 -46.06 60.5 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.736 0.647 . . . . 0.0 111.532 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.73 -41.55 82.04 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.688 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.21 -31.69 67.58 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 121.448 0.642 . . . . 0.0 110.947 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.4 mt -69.95 -37.33 75.82 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.684 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -63.35 -41.62 98.86 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.992 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.68 -26.74 70.73 Favored Glycine 0 C--N 1.338 0.655 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -68.01 -42.52 80.57 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.059 0.456 . . . . 0.0 110.807 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.46 -40.71 96.23 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.357 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.6 p -59.8 -44.88 93.75 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.29 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -64.75 -38.1 89.83 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.072 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 61.0 tp -63.59 -48.5 77.12 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.429 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -56.75 -39.64 74.33 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.637 0.586 . . . . 0.0 110.307 -177.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -67.97 -59.24 3.42 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.727 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -54.45 -41.57 69.6 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.235 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.5 mt -149.5 154.62 39.06 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 120.973 0.416 . . . . 0.0 110.024 -179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.33 -40.7 0.81 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.59 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 51.16 48.06 23.73 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -155.8 48.02 0.5 Allowed 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.686 0.755 . . . . 0.0 111.179 -178.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 . . . . . 0 CA--C 1.542 0.667 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.154 179.016 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -178.04 145.67 7.11 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.6 mt 54.35 -166.33 0.09 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.688 0.28 . . . . 0.0 110.26 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.2 t 54.89 73.82 0.83 Allowed Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.35 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -54.64 168.0 1.25 Allowed 'Trans proline' 0 N--CA 1.497 1.707 0 C-N-CA 122.02 1.814 . . . . 0.0 110.794 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 53.24 84.86 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.004 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.27 -81.12 0.09 OUTLIER Glycine 0 CA--C 1.507 -0.446 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.7 t 51.6 -172.2 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -95.97 -45.41 6.94 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 23.5 mmt -64.65 -61.01 2.46 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.384 -178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.83 -44.63 78.12 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.488 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.2 t -58.15 -43.12 87.19 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.698 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.34 -41.94 94.64 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.42 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' HE ' ' HZ1' ' A' ' 96' ' ' LYS . 79.8 ttt180 -67.15 -40.08 86.62 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.147 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -59.1 -37.82 78.05 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.612 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -59.23 -48.29 82.16 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.0 mt -56.72 -52.19 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.78 76.71 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.928 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -65.84 -30.95 71.65 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.287 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.4 mt -83.62 -33.86 10.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.071 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -57.24 -58.41 8.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.69 -55.55 29.17 Favored 'General case' 0 CA--C 1.513 -0.447 0 O-C-N 123.766 0.666 . . . . 0.0 110.566 -179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.722 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -43.97 -59.7 2.17 Favored 'General case' 0 C--O 1.201 -1.481 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.887 -175.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.4 tp -67.09 -59.49 3.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.572 0.545 . . . . 0.0 111.402 178.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.06 -57.12 7.11 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 121.711 0.767 . . . . 0.0 110.496 -175.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -77.55 25.22 0.19 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.94 -1.482 . . . . 0.0 110.157 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -115.25 -55.63 2.44 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 117.945 -1.026 . . . . 0.0 111.363 178.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER 10.01 52.66 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.534 0 O-C-N 125.471 1.732 . . . . 0.0 109.877 -177.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.599 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.68 -51.81 68.19 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.844 -174.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -77.39 -14.85 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.308 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 47.9 55.0 9.17 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 120.829 0.347 . . . . 0.0 110.576 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -110.11 -7.53 14.9 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.785 0.434 . . . . 0.0 110.314 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 62.42 7.57 2.41 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.738 0.649 . . . . 0.0 111.129 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -120.42 134.31 55.29 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.5 tp -87.77 103.87 16.03 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 123.933 0.77 . . . . 0.0 111.484 -178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.54 139.35 37.32 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 177.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ARG . 27.5 t80 -42.46 -46.05 4.62 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 123.943 0.777 . . . . 0.0 112.591 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -48.0 -55.63 9.61 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.074 0.464 . . . . 0.0 111.395 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -57.37 -50.15 73.9 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.776 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.423 ' HE1' HG13 ' A' ' 65' ' ' ILE . 37.5 t-105 -67.87 -21.35 65.17 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.073 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 48' ' ' PHE . 61.9 ttt-85 -81.28 -62.43 1.66 Allowed 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -177.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -71.32 -37.63 71.74 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.631 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -60.89 -54.0 50.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.393 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 55' ' ' LEU . 9.4 mp -75.67 -27.78 58.44 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.153 -177.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -57.33 -48.18 79.64 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.234 -0.586 . . . . 0.0 111.807 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.0 t -61.02 -8.43 3.25 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.158 0.286 . . . . 0.0 111.428 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -86.02 21.91 1.85 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.445 -178.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.04 12.31 79.69 Favored Glycine 0 N--CA 1.469 0.867 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -99.94 147.74 25.24 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.3 159.41 21.91 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -70.72 -35.3 72.64 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.188 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.42 -43.87 26.24 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 120.981 0.419 . . . . 0.0 111.255 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.16 -36.6 77.91 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.289 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.423 HG13 ' HE1' ' A' ' 51' ' ' TRP . 1.7 tp -58.27 -23.73 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.663 -178.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -67.52 -39.22 85.09 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.107 -176.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.05 -52.8 63.82 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.814 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.54 -33.65 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -78.24 -61.32 2.04 Favored 'General case' 0 C--O 1.225 -0.224 0 O-C-N 123.118 0.261 . . . . 0.0 110.522 -177.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.77 -32.05 0.13 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.181 0.592 . . . . 0.0 111.906 -175.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -57.17 -11.23 1.54 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.805 0.842 . . . . 0.0 112.002 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -110.95 -7.04 14.59 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.039 0.536 . . . . 0.0 111.287 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -93.53 58.66 2.79 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 75' ' ' ASP . 13.0 p -58.36 -45.6 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.244 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.46 ' N ' HG13 ' A' ' 74' ' ' VAL . 12.1 t70 -72.41 -14.45 61.7 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.034 -0.266 . . . . 0.0 110.772 -177.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.51 4.42 57.21 Favored Glycine 0 C--N 1.342 0.883 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -77.33 -16.8 58.75 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 120.227 -0.589 . . . . 0.0 110.371 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 69.02 25.23 5.96 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 124.484 1.115 . . . . 0.0 111.597 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.7 t -133.68 121.49 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.3 mt -135.71 101.92 4.92 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.616 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.474 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 48.3 t0 -97.32 -168.96 1.77 Allowed 'General case' 0 C--O 1.232 0.17 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 178.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.474 ' H ' ' CG ' ' A' ' 81' ' ' ASP . . . -46.88 -16.47 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.579 0.752 . . . . 0.0 112.417 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -66.41 -60.11 3.06 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.654 0.596 . . . . 0.0 110.976 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -86.72 -21.53 26.56 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.71 0.804 . . . . 0.0 111.519 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -58.55 -39.49 80.39 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.675 -177.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.1 ptp -57.77 -48.64 79.08 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.717 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.74 -43.04 90.11 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.663 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -64.57 -59.49 4.23 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.325 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.44 -40.0 17.03 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.857 0.361 . . . . 0.0 111.652 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -73.14 -31.44 64.28 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.271 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -61.11 -42.67 98.95 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.432 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.1 mp -51.14 -57.8 7.78 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.512 -178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -67.08 -44.76 79.26 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -50.57 -48.65 42.16 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -70.56 -34.99 72.85 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.431 ' HZ1' ' HE ' ' A' ' 25' ' ' ARG . 56.2 tttp -56.08 -40.48 73.68 Favored 'General case' 0 C--N 1.34 0.187 0 CA-C-O 120.74 0.305 . . . . 0.0 110.797 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.1 m -60.79 -43.73 97.73 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.588 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -62.26 -49.41 75.8 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.356 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.69 -42.66 73.8 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.357 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -57.3 -48.15 79.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.63 0.252 . . . . 0.0 110.543 -179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -67.39 -56.87 7.91 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -50.34 -39.37 46.06 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.408 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 11.0 tp -56.51 -65.46 0.61 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.258 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 103' ' ' LEU . . . 87.46 -174.45 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 O-C-N 124.554 1.159 . . . . 0.0 109.628 -178.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 46.47 68.32 0.63 Allowed 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 48.9 mt -97.68 17.0 18.88 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.621 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 . . . . . 0 CA--C 1.541 0.634 0 CA-C-O 118.186 -0.911 . . . . 0.0 109.45 179.734 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.18 156.98 21.48 Favored Glycine 0 N--CA 1.467 0.717 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.7 mt -101.76 30.75 4.18 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.2 0.6 . . . . 0.0 110.748 -179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.539 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 12.2 t -81.67 -41.14 1.04 Allowed Pre-proline 0 C--N 1.316 -0.854 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.863 178.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 15' ' ' VAL . 93.4 Cg_endo -83.41 88.81 1.13 Allowed 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.418 2.079 . . . . 0.0 111.258 -177.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -109.96 -18.91 13.27 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 123.338 0.399 . . . . 0.0 110.097 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.93 53.08 36.24 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.5 t -165.05 46.68 0.09 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.034 0.445 . . . . 0.0 110.589 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -167.18 28.93 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 37.2 ttm -61.83 -35.18 77.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.494 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.63 -54.27 45.03 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.772 -179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.3 m -62.46 -41.64 98.9 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.333 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -60.29 -46.1 91.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.28 0.562 . . . . 0.0 110.736 -178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.3 mmt-85 -72.06 -22.75 61.33 Favored 'General case' 0 CA--C 1.508 -0.635 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.596 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -64.9 -15.76 62.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.375 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -56.47 -31.78 64.35 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.851 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.3 -43.39 71.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.661 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.77 -36.54 64.98 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.882 0.373 . . . . 0.0 110.78 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -85.1 -37.09 20.67 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.729 -179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.7 mt -79.56 -40.42 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.3 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -54.8 -56.34 20.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.034 -177.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.42 -51.92 65.62 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.05 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.788 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -41.94 -57.29 2.46 Favored 'General case' 0 C--O 1.201 -1.482 0 CA-C-O 118.348 -0.834 . . . . 0.0 110.098 -176.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 34.4 tp -68.55 -59.98 2.75 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 124.075 0.86 . . . . 0.0 111.524 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.4 -58.39 4.21 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.825 0.821 . . . . 0.0 110.262 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -75.94 26.21 0.12 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.44 178.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.788 ' HB2' ' O ' ' A' ' 34' ' ' ALA . . . -115.08 -55.61 2.45 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-O 117.804 -1.093 . . . . 0.0 112.195 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 38' ' ' ALA . 62.5 m-20 7.36 49.84 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.201 0 O-C-N 125.526 1.766 . . . . 0.0 110.57 -177.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.713 ' N ' ' O ' ' A' ' 38' ' ' ALA . . . -59.19 -52.79 64.19 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.774 -174.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -80.64 -14.06 58.49 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.832 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 54.38 55.75 7.72 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.166 0.291 . . . . 0.0 110.51 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -108.47 -17.98 13.85 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 68.85 10.4 7.89 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 123.414 0.446 . . . . 0.0 110.825 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.447 ' CD2' ' N ' ' A' ' 46' ' ' LEU . 55.7 t60 -116.89 162.27 18.02 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.447 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 7.3 mp -119.09 97.52 5.72 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.111 0.882 . . . . 0.0 111.381 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -99.39 140.82 33.01 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.498 ' O ' ' N ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -36.72 -46.94 0.63 Allowed 'General case' 0 C--O 1.207 -1.163 0 O-C-N 124.354 1.034 . . . . 0.0 112.144 -179.54 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -47.75 -56.22 7.84 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.578 0.549 . . . . 0.0 111.523 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -58.64 -52.01 67.49 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.747 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -68.07 -21.23 64.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.177 -178.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' PHE . 59.7 ttm-85 -81.74 -62.2 1.71 Allowed 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 113.213 0.82 . . . . 0.0 113.213 -178.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -69.13 -38.87 79.07 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.312 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.09 -56.14 25.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.503 -0.772 . . . . 0.0 112.665 -177.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.32 -36.92 80.02 Favored 'General case' 0 CA--C 1.495 -1.14 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.73 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.5 ttpp -54.07 -47.32 71.79 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -175.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.0 m -61.03 -12.3 11.23 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.194 0.309 . . . . 0.0 111.353 -178.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -84.79 24.03 1.1 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.032 -178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.31 12.29 76.32 Favored Glycine 0 N--CA 1.461 0.342 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -102.74 152.07 21.66 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.75 172.49 12.17 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -77.57 -34.58 53.64 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.331 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.92 -42.71 32.23 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.765 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -54.77 -38.88 67.77 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.664 0.269 . . . . 0.0 111.65 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.5 mt -59.62 -24.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.12 -179.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.07 -42.34 99.64 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 123.347 0.405 . . . . 0.0 110.56 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -56.07 -53.85 52.08 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.779 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.57 -48.15 90.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.677 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -67.93 -54.89 15.25 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.678 -178.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.12 -45.15 2.69 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 121.237 0.542 . . . . 0.0 111.274 -178.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -52.57 -10.78 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.77 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -101.34 -41.63 6.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.476 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.37 114.1 0.58 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -54.14 9.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 123.531 0.519 . . . . 0.0 110.395 -177.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -115.15 6.7 15.17 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.668 0.387 . . . . 0.0 110.49 -178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.51 18.75 73.97 Favored Glycine 0 N--CA 1.47 0.912 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -75.49 -11.73 60.09 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 118.763 -0.637 . . . . 0.0 110.053 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 63.92 24.03 13.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 O-C-N 123.466 0.479 . . . . 0.0 111.964 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -145.24 119.57 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-O 121.001 0.429 . . . . 0.0 109.865 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -141.15 117.0 10.41 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.337 -179.396 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.13 -170.33 1.78 Allowed 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -38.59 -49.29 1.52 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 124.599 1.187 . . . . 0.0 110.776 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -44.08 -57.34 3.44 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.804 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -86.05 -33.37 21.02 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.305 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -63.05 -37.2 86.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.974 -177.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 27.8 ttt -49.97 -44.81 51.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.315 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.06 -30.5 59.76 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.6 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 19.3 ttt -68.69 -54.63 15.05 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.454 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.18 -33.96 42.98 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.97 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -64.22 -49.5 71.72 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.705 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.94 -41.05 83.11 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.13 -40.95 91.57 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.599 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.27 -43.04 74.7 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.081 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.7 -37.67 93.74 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -64.11 -42.47 96.87 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.122 0.486 . . . . 0.0 110.456 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -59.6 -43.45 93.73 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.059 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.9 t -61.92 -45.61 92.93 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.501 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -61.5 -41.82 97.87 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.794 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 58.4 tp -57.76 -51.85 67.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.337 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -47.77 -40.61 21.19 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.74 0.65 . . . . 0.0 110.604 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -80.14 -34.31 37.82 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.145 178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.02 -52.91 61.68 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 -176.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.36 -1.58 38.44 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.893 -178.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 46.36 -98.24 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 O-C-N 123.517 0.511 . . . . 0.0 110.823 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -140.74 -62.17 0.49 Allowed 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.438 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.8 mp 53.09 -175.27 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.126 0.488 . . . . 0.0 110.234 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 . . . . . 0 CA--C 1.538 0.498 0 CA-C-O 118.244 -0.884 . . . . 0.0 109.765 179.43 . . . . . . . . 0 0 . 1 stop_ save_